[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (3S)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (3S)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4/c29-24(27-22-14-6-1-2-7-15-22)18-32-26(31)23-16-20-12-8-9-13-21(20)17-28(23)25(30)19-10-4-3-5-11-19/h3-5,8-13,22-23H,1-2,6-7,14-18H2,(H,27,29)/t23-/m0/s1