[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO6/c1-5-6-7-15-8-10-16(11-9-15)23-19(24)14-29-22(25)17-12-13-18(26-2)21(28-4)20(17)27-3/h8-13H,5-7,14H2,1-4H3,(H,23,24)