[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-indol-1-ylpropanoate

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-indol-1-ylpropanoate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-indol-1-ylpropanoate CAS Name: 3-(1-indolyl)propanoic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-indol-1-ylpropanoate Traditional Name: 3-indol-1-ylpropionic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CCN2C=CC3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4/c1-14(21(27)23-17-8-6-16(7-9-17)20(22)26)28-19(25)11-13-24-12-10-15-4-2-3-5-18(15)24/h2-10,12,14H,11,13H2,1H3,(H2,22,26)(H,23,27)/t14-/m1/s1