[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C21H24ClN3O4/c1-13(2)24-21(28)23-11-15-7-9-16(10-8-15)20(27)29-12-19(26)25-18-6-4-5-17(22)14(18)3/h4-10,13H,11-12H2,1-3H3,(H,25,26)(H2,23,24,28)