[2-[(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl] ethanoate Openeye Name: [2-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C22H22N2O4/c1-14(25)28-20-5-3-2-4-19(20)21(26)23-18-9-8-15-10-11-24(13-17(15)12-18)22(27)16-6-7-16/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,23,26)