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

Systemtic Name: 2-[3-[oxidanyl(4-phenylbutyl)phosphoryl]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[3-[hydroxy(4-phenylbutyl)phosphoryl]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C23H28NO5P MolecularWeight: 429.445881

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)O)C(=O)CCP(=O)(CCCCC3=CC=CC=C3)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C(=O)O)C(=O)CCP(=O)(CCCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H28NO5P/c25-21(24-15-13-19-11-4-5-12-20(19)22(24)23(26)27)14-17-30(28,29)16-7-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-12,22H,6-7,10,13-17H2,(H,26,27)(H,28,29)