(phenylmethyl) (2S)-2-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl(p-anisyl)amino]-3-methyl-butyric acid benzyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H31NO3/c1-21(2)26(27(29)31-20-24-12-8-5-9-13-24)28(18-22-10-6-4-7-11-22)19-23-14-16-25(30-3)17-15-23/h4-17,21,26H,18-20H2,1-3H3/t26-/m0/s1