methyl 4-[(1R)-1-[(4-butylphenyl)amino]-3-oxidanylidene-3-phenyl-propyl]benzoate

Systemtic Name: methyl 4-[(1R)-1-[(4-butylphenyl)amino]-3-oxidanylidene-3-phenyl-propyl]benzoate Openeye Name: methyl 4-[(1R)-1-(4-butylanilino)-3-oxo-3-phenyl-propyl]benzoate CAS Name: 4-[(1R)-1-(4-butylanilino)-3-oxo-3-phenylpropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R)-1-(4-butylanilino)-3-oxo-3-phenylpropyl]benzoate Traditional Name: 4-[(1R)-1-(4-butylanilino)-3-keto-3-phenyl-propyl]benzoic acid methyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N[C@H](CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H29NO3/c1-3-4-8-20-11-17-24(18-12-20)28-25(19-26(29)22-9-6-5-7-10-22)21-13-15-23(16-14-21)27(30)31-2/h5-7,9-18,25,28H,3-4,8,19H2,1-2H3/t25-/m1/s1