[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C20H21ClN2O4/c1-13(24)23-10-2-3-14-4-6-15(7-5-14)19(25)12-27-20(26)16-8-9-17(21)18(22)11-16/h4-9,11H,2-3,10,12,22H2,1H3,(H,23,24)