(E)-N-[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-(4-methanoylphenyl)prop-2-enamide hydrochloride

Systemtic Name: (E)-N-[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-(4-methanoylphenyl)prop-2-enamide hydrochloride Openeye Name: (E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]-3-(4-formylphenyl)prop-2-enamide hydrochloride CAS Name: (E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]-3-(4-formylphenyl)-2-propenamide hydrochloride IUPAC Name: (E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-(4-formylphenyl)prop-2-enamide hydrochloride Traditional Name: (E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]-3-(4-formylphenyl)acrylamide hydrochloride Formula: C30H26Cl3N3O4 MolecularWeight: 598.90414

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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=CC=C(C=C4)C=O)Cl)C=C1.Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H25Cl2N3O4.ClH/c1-19-6-12-22-4-3-5-26(30(22)34-19)39-18-23-24(31)13-14-25(29(23)32)35(2)28(38)16-33-27(37)15-11-20-7-9-21(17-36)10-8-20;/h3-15,17H,16,18H2,1-2H3,(H,33,37);1H/b15-11+;