[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C27H36N2O4/c1-20(30)28-17-16-21-10-8-9-15-24(21)25(28)18-27(32)33-19-26(31)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h8-10,15-17,22-23,25H,2-7,11-14,18-19H2,1H3