3-(4-chloranyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(4-chloranyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-chloro-1H-indol-3-yl)propanoic acid CAS Name: 3-(4-chloro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(4-chloro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-chloro-1H-indol-3-yl)propionic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=C2C(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=C2C(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C19H17ClN2O4/c20-14-7-4-8-15-17(14)13(10-21-15)9-16(18(23)24)22-19(25)26-11-12-5-2-1-3-6-12/h1-8,10,16,21H,9,11H2,(H,22,25)(H,23,24)