(phenylmethyl) (3S)-3-(cycloheptylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-(cycloheptylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-(cycloheptylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(cycloheptylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(cycloheptylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(cycloheptylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c28-24(26-22-14-6-1-2-7-15-22)23-16-20-12-8-9-13-21(20)17-27(23)25(29)30-18-19-10-4-3-5-11-19/h3-5,8-13,22-23H,1-2,6-7,14-18H2,(H,26,28)/t23-/m0/s1