ethyl 4-[[butyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[butyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[butyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]carbamoyl]amino]benzoate CAS Name: 4-[[[butyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[butyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamoyl]amino]benzoate Traditional Name: 4-[[butyl-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H33N3O4/c1-4-6-16-28(26(32)27-22-13-11-21(12-14-22)25(31)33-5-2)18-24(30)29-17-15-20-9-7-8-10-23(20)19(29)3/h7-14,19H,4-6,15-18H2,1-3H3,(H,27,32)