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

Systemtic Name: methyl 4-[(1R)-1-[(4-butylphenyl)amino]-3-(4-methylphenyl)-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 4-[(1R)-1-(4-butylanilino)-3-oxo-3-(p-tolyl)propyl]benzoate CAS Name: 4-[(1R)-1-(4-butylanilino)-3-(4-methylphenyl)-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R)-1-(4-butylanilino)-3-(4-methylphenyl)-3-oxopropyl]benzoate Traditional Name: 4-[(1R)-1-(4-butylanilino)-3-keto-3-(p-tolyl)propyl]benzoic acid methyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3/c1-4-5-6-21-9-17-25(18-10-21)29-26(19-27(30)23-11-7-20(2)8-12-23)22-13-15-24(16-14-22)28(31)32-3/h7-18,26,29H,4-6,19H2,1-3H3/t26-/m1/s1