2-[[[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]amino]methyl]prop-2-enoic acid

Systemtic Name: 2-[[[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]amino]methyl]prop-2-enoic acid Openeye Name: 2-[[[4-(4-benzyloxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]amino]methyl]prop-2-enoic acid CAS Name: 2-[[[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxy-6-quinolinyl]amino]methyl]-2-propenoic acid IUPAC Name: 2-[[[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]amino]methyl]prop-2-enoic acid Traditional Name: 2-[[[4-(4-benzoxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]amino]methyl]acrylic acid Formula: C29H25ClN4O4 MolecularWeight: 528.9862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)NCC(=C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)NCC(=C)C(=O)O

InChI

InChI=1S/C29H25ClN4O4/c1-3-37-27-13-24-22(12-25(27)32-15-18(2)29(35)36)28(20(14-31)16-33-24)34-21-9-10-26(23(30)11-21)38-17-19-7-5-4-6-8-19/h4-13,16,32H,2-3,15,17H2,1H3,(H,33,34)(H,35,36)