3-[[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]octanoic acid

Systemtic Name: 3-[[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]octanoic acid Openeye Name: 3-[[1-benzyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]octanoic acid CAS Name: 3-[[[1-[2-(hydroxymethyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]octanoic acid IUPAC Name: 3-[[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]octanoic acid Traditional Name: 3-[[1-benzyl-2-keto-2-(2-methylolpyrrolidino)ethyl]carbamoyl]caprylic acid Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2CO

Isomeric SMILES

CCCCCC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2CO

InChI

InChI=1S/C23H34N2O5/c1-2-3-5-11-18(15-21(27)28)22(29)24-20(14-17-9-6-4-7-10-17)23(30)25-13-8-12-19(25)16-26/h4,6-7,9-10,18-20,26H,2-3,5,8,11-16H2,1H3,(H,24,29)(H,27,28)