2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

Systemtic Name: 2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid Openeye Name: 2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid CAS Name: 2-[[2-[oxo-(4-phenylbutylamino)methyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid IUPAC Name: 2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid Traditional Name: 2-[2-(4-phenylbutylcarbamoyl)benzyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c31-27(29-16-7-6-10-21-8-2-1-3-9-21)26-12-5-4-11-24(26)19-30-17-15-22-13-14-23(28(32)33)18-25(22)20-30/h1-5,8-9,11-14,18H,6-7,10,15-17,19-20H2,(H,29,31)(H,32,33)