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

Systemtic Name: ethyl 2-[[3-methylbutyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[isopentyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]carbamoyl]amino]acetate CAS Name: 2-[[[3-methylbutyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamoyl]amino]acetate Traditional Name: 2-[[isoamyl-[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:

CCOC(=O)CNC(=O)N(CCC(C)C)CC(=O)N1CCC2=CC=CC=C2C1C

Isomeric SMILES

CCOC(=O)CNC(=O)N(CCC(C)C)CC(=O)N1CCC2=CC=CC=C2C1C

InChI

InChI=1S/C22H33N3O4/c1-5-29-21(27)14-23-22(28)24(12-10-16(2)3)15-20(26)25-13-11-18-8-6-7-9-19(18)17(25)4/h6-9,16-17H,5,10-15H2,1-4H3,(H,23,28)