5-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methyl-4-morpholin-4-yl-quinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methyl-4-morpholin-4-yl-quinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]pyridine-2-carboxylic acid Openeye Name: 5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholino-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]pyridine-2-carboxylic acid CAS Name: 5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(4-morpholinyl)-8-quinolinyl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholin-4-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylic acid Traditional Name: 5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholino-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]picolinic acid Formula: C33H31Cl2N5O6 MolecularWeight: 664.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CN=C(C=C4)C(=O)O)Cl)C(=C1)N5CCOCC5

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CN=C(C=C4)C(=O)O)Cl)C(=C1)N5CCOCC5

InChI

InChI=1S/C33H31Cl2N5O6/c1-20-16-27(40-12-14-45-15-13-40)22-4-3-5-28(32(22)38-20)46-19-23-24(34)8-10-26(31(23)35)39(2)30(42)18-37-29(41)11-7-21-6-9-25(33(43)44)36-17-21/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,37,41)(H,43,44)/b11-7+