(2S)-2-[(4-ethylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-ethylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-ethylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(4-ethylphenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4-ethylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-ethylbenzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-2-14-7-9-15(10-8-14)13-27-21(26)23-19(20(24)25)11-16-12-22-18-6-4-3-5-17(16)18/h3-10,12,19,22H,2,11,13H2,1H3,(H,23,26)(H,24,25)/t19-/m0/s1