[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-13(2)19-11-16(15-6-4-5-7-18(15)25-19)22(27)29-12-21(26)24-14-8-9-20(28-3)17(23)10-14/h4-11,13H,12H2,1-3H3,(H,24,26)