methyl (2S)-3-methyl-2-[(3-phenylindolizin-1-yl)-(phenylmethyl)amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(3-phenylindolizin-1-yl)-(phenylmethyl)amino]butanoate Openeye Name: methyl (2S)-2-[benzyl-(3-phenylindolizin-1-yl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(3-phenyl-1-indolizinyl)-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-(3-phenylindolizin-1-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl-(3-phenylindolizin-1-yl)amino]-3-methyl-butyric acid methyl ester Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=CC=CC=C1)C2=C3C=CC=CN3C(=C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=CC=CC=C1)C2=C3C=CC=CN3C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-20(2)26(27(30)31-3)29(19-21-12-6-4-7-13-21)25-18-24(22-14-8-5-9-15-22)28-17-11-10-16-23(25)28/h4-18,20,26H,19H2,1-3H3/t26-/m0/s1