2-[3-[oxidanyl(4-phenylbutyl)phosphoryl]butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[3-[oxidanyl(4-phenylbutyl)phosphoryl]butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]butanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C24H30NO5P MolecularWeight: 443.472461

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCC2=CC=CC=C2C1C(=O)O)P(=O)(CCCCC3=CC=CC=C3)O

Isomeric SMILES

CC(CC(=O)N1CCC2=CC=CC=C2C1C(=O)O)P(=O)(CCCCC3=CC=CC=C3)O

InChI

InChI=1S/C24H30NO5P/c1-18(31(29,30)16-8-7-11-19-9-3-2-4-10-19)17-22(26)25-15-14-20-12-5-6-13-21(20)23(25)24(27)28/h2-6,9-10,12-13,18,23H,7-8,11,14-17H2,1H3,(H,27,28)(H,29,30)