(phenylmethyl) 2-[2-(3-fluorophenyl)ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-[2-(3-fluorophenyl)ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-[2-(3-fluorophenyl)ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(3-fluorophenyl)ethoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-fluorophenyl)ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[2-(3-fluorophenyl)ethoxycarbonylamino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C27H25FN2O4 MolecularWeight: 460.496803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCCC4=CC(=CC=C4)F

InChI

InChI=1S/C27H25FN2O4/c28-22-10-6-9-19(15-22)13-14-33-27(32)30-25(26(31)34-18-20-7-2-1-3-8-20)16-21-17-29-24-12-5-4-11-23(21)24/h1-12,15,17,25,29H,13-14,16,18H2,(H,30,32)