phenethyl (2S)-3-(1H-indol-3-yl)-2-(propan-2-ylamino)propanoate

Systemtic Name: phenethyl (2S)-3-(1H-indol-3-yl)-2-(propan-2-ylamino)propanoate Openeye Name: phenethyl (2S)-3-(1H-indol-3-yl)-2-(isopropylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(propan-2-ylamino)propanoic acid phenethyl ester IUPAC Name: phenethyl (2S)-3-(1H-indol-3-yl)-2-(propan-2-ylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(isopropylamino)propionic acid phenethyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CC1=CNC2=CC=CC=C21)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-16(2)24-21(14-18-15-23-20-11-7-6-10-19(18)20)22(25)26-13-12-17-8-4-3-5-9-17/h3-11,15-16,21,23-24H,12-14H2,1-2H3/t21-/m0/s1