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

Systemtic Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H30NO5P MolecularWeight: 443.472461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C24H30NO5P/c1-2-30-31(29,15-9-8-12-19-10-4-3-5-11-19)18-23(26)25-17-21-14-7-6-13-20(21)16-22(25)24(27)28/h3-7,10-11,13-14,22H,2,8-9,12,15-18H2,1H3,(H,27,28)