methyl (2S)-2-[2-chloranylethanoyl-(phenylmethyl)amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-chloranylethanoyl-(phenylmethyl)amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[benzyl-(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)-(phenylmethyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[benzyl-(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C21H21ClN2O3/c1-27-21(26)19(11-16-13-23-18-10-6-5-9-17(16)18)24(20(25)12-22)14-15-7-3-2-4-8-15/h2-10,13,19,23H,11-12,14H2,1H3/t19-/m0/s1