methyl (2S)-2-(butylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(butylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(butylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(butylamino)-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(butylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(butylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CCCCN[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C16H22N2O2/c1-3-4-9-17-15(16(19)20-2)10-12-11-18-14-8-6-5-7-13(12)14/h5-8,11,15,17-18H,3-4,9-10H2,1-2H3/t15-/m0/s1