[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClNO4/c1-3-4-13-26-17-11-9-16(10-12-17)21(25)27-14-20(24)23-15(2)18-7-5-6-8-19(18)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24)/t15-/m1/s1