1-[[4-[4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-3-cyano-quinolin-7-yl]phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[4-[4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-3-cyano-quinolin-7-yl]phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-[3-cyano-4-(2,4-dichloro-5-methoxy-anilino)-7-quinolyl]phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)-7-quinolinyl]phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)quinolin-7-yl]phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[3-cyano-4-(2,4-dichloro-5-methoxy-anilino)-7-quinolyl]benzyl]pipecolinic acid Formula: C30H26Cl2N4O3 MolecularWeight: 561.45844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(C=C4)CN5CCCCC5C(=O)O)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(C=C4)CN5CCCCC5C(=O)O)Cl)Cl

InChI

InChI=1S/C30H26Cl2N4O3/c1-39-28-14-26(23(31)13-24(28)32)35-29-21(15-33)16-34-25-12-20(9-10-22(25)29)19-7-5-18(6-8-19)17-36-11-3-2-4-27(36)30(37)38/h5-10,12-14,16,27H,2-4,11,17H2,1H3,(H,34,35)(H,37,38)