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

Systemtic Name: ethyl 2-[[[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-pentyl-carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-pentyl-carbamoyl]amino]acetate CAS Name: 2-[[[[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-pentylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-pentylcarbamoyl]amino]acetate Traditional Name: 2-[[amyl-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamoyl]amino]acetic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NCC(=O)OCC

InChI

InChI=1S/C22H33N3O4/c1-4-6-9-13-24(22(28)23-15-21(27)29-5-2)16-20(26)25-14-12-18-10-7-8-11-19(18)17(25)3/h7-8,10-11,17H,4-6,9,12-16H2,1-3H3,(H,23,28)