1-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]-1-oxoethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-methoxy-proline Formula: C20H30NO6P MolecularWeight: 411.429061

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)OC

Isomeric SMILES

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)OC

InChI

InChI=1S/C20H30NO6P/c1-3-27-28(25,12-8-7-11-16-9-5-4-6-10-16)15-19(22)21-14-17(26-2)13-18(21)20(23)24/h4-6,9-10,17-18H,3,7-8,11-15H2,1-2H3,(H,23,24)