2-[3-[[ethoxy(4-phenylbutyl)phosphoryl]amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[ethoxy(4-phenylbutyl)phosphoryl]amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[[ethoxy(4-phenylbutyl)phosphoryl]amino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[[ethoxy(4-phenylbutyl)phosphoryl]amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[[ethoxy(4-phenylbutyl)phosphoryl]amino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[[ethoxy(4-phenylbutyl)phosphoryl]amino]-2-keto-azepan-1-yl]acetic acid Formula: C20H31N2O5P MolecularWeight: 410.444301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCC1=CC=CC=C1)NC2CCCCN(C2=O)CC(=O)O

Isomeric SMILES

CCOP(=O)(CCCCC1=CC=CC=C1)NC2CCCCN(C2=O)CC(=O)O

InChI

InChI=1S/C20H31N2O5P/c1-2-27-28(26,15-9-7-12-17-10-4-3-5-11-17)21-18-13-6-8-14-22(20(18)25)16-19(23)24/h3-5,10-11,18H,2,6-9,12-16H2,1H3,(H,21,26)(H,23,24)