quinolin-8-ylmethyl (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: 8-quinolylmethyl (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid 8-quinolylmethyl ester Formula: C28H22FN3O3 MolecularWeight: 467.490983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=CC4=C3N=CC=C4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)OCC3=CC=CC4=C3N=CC=C4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22FN3O3/c29-22-12-10-19(11-13-22)27(33)32-25(15-21-16-31-24-9-2-1-8-23(21)24)28(34)35-17-20-6-3-5-18-7-4-14-30-26(18)20/h1-14,16,25,31H,15,17H2,(H,32,33)/t25-/m0/s1