methyl (3S)-3-(3-methyl-4-phenylmethoxy-phenyl)-5-oxidanylidene-5-[[(1R)-1-phenylethyl]amino]pentanoate

Systemtic Name: methyl (3S)-3-(3-methyl-4-phenylmethoxy-phenyl)-5-oxidanylidene-5-[[(1R)-1-phenylethyl]amino]pentanoate Openeye Name: methyl (3S)-3-(4-benzyloxy-3-methyl-phenyl)-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate CAS Name: (3S)-3-(3-methyl-4-phenylmethoxyphenyl)-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3-methyl-4-phenylmethoxyphenyl)-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate Traditional Name: (3S)-3-(4-benzoxy-3-methyl-phenyl)-5-keto-5-[[(1R)-1-phenylethyl]amino]valeric acid methyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(=O)NC(C)C2=CC=CC=C2)CC(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](CC(=O)N[C@H](C)C2=CC=CC=C2)CC(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C28H31NO4/c1-20-16-24(14-15-26(20)33-19-22-10-6-4-7-11-22)25(18-28(31)32-3)17-27(30)29-21(2)23-12-8-5-9-13-23/h4-16,21,25H,17-19H2,1-3H3,(H,29,30)/t21-,25+/m1/s1