[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-butoxybenzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C26H26ClNO4/c1-3-4-16-31-22-14-11-20(12-15-22)26(30)32-24(19-8-6-5-7-9-19)25(29)28-21-13-10-18(2)23(27)17-21/h5-15,17,24H,3-4,16H2,1-2H3,(H,28,29)