[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)-3-ureido-propionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)N

InChI

InChI=1S/C21H20ClN3O4/c1-12-20(15-4-2-3-5-16(15)24-12)18(26)11-29-19(27)10-17(25-21(23)28)13-6-8-14(22)9-7-13/h2-9,17,24H,10-11H2,1H3,(H3,23,25,28)