methyl (2S)-3-(1-methylindol-3-yl)-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(1-methylindol-3-yl)-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-2-(benzylamino)-3-(1-methylindol-3-yl)propanoate CAS Name: (2S)-3-(1-methyl-3-indolyl)-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzylamino)-3-(1-methylindol-3-yl)propanoate Traditional Name: (2S)-2-(benzylamino)-3-(1-methylindol-3-yl)propionic acid methyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)OC)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)OC)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2/c1-22-14-16(17-10-6-7-11-19(17)22)12-18(20(23)24-2)21-13-15-8-4-3-5-9-15/h3-11,14,18,21H,12-13H2,1-2H3/t18-/m0/s1