1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[ethoxy(4-phenylbutyl)phosphoryl]methyl-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-methyl-carbamoyl]proline Formula: C20H31N2O5P MolecularWeight: 410.444301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCC1=CC=CC=C1)CN(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOP(=O)(CCCCC1=CC=CC=C1)CN(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H31N2O5P/c1-3-27-28(26,15-8-7-12-17-10-5-4-6-11-17)16-21(2)20(25)22-14-9-13-18(22)19(23)24/h4-6,10-11,18H,3,7-9,12-16H2,1-2H3,(H,23,24)