[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C20H22N2O5/c1-4-9-22-13(2)10-17(14(22)3)18(23)11-27-20(25)15-5-7-16(8-6-15)26-12-19(21)24/h4-8,10H,1,9,11-12H2,2-3H3,(H2,21,24)