[(1R,2S)-1-[bis(phenylmethyl)amino]-5-oxidanylidene-1-phenyl-pentan-2-yl] ethanoate

Systemtic Name: [(1R,2S)-1-[bis(phenylmethyl)amino]-5-oxidanylidene-1-phenyl-pentan-2-yl] ethanoate Openeye Name: [(1S)-1-[(R)-(dibenzylamino)-phenyl-methyl]-4-oxo-butyl] acetate CAS Name: acetic acid [(1R,2S)-1-[bis(phenylmethyl)amino]-5-oxo-1-phenylpentan-2-yl] ester IUPAC Name: [(1R,2S)-1-(dibenzylamino)-5-oxo-1-phenylpentan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(R)-(dibenzylamino)-phenyl-methyl]-4-keto-butyl] ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC=O)C(C1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H](CCC=O)[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO3/c1-22(30)31-26(18-11-19-29)27(25-16-9-4-10-17-25)28(20-23-12-5-2-6-13-23)21-24-14-7-3-8-15-24/h2-10,12-17,19,26-27H,11,18,20-21H2,1H3/t26-,27+/m0/s1