[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClNO3/c1-2-13-6-8-15(9-7-13)18(22)23-12-17(21)20-11-14-4-3-5-16(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,21)