2-[carboxymethyl-[(E)-3-(2-octadecoxyphenyl)prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[(E)-3-(2-octadecoxyphenyl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[(E)-3-(2-octadecoxyphenyl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[(E)-3-(2-octadecoxyphenyl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[(E)-3-(2-octadecoxyphenyl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[(E)-3-(2-stearyloxyphenyl)acryloyl]amino]acetic acid Formula: C31H49NO6 MolecularWeight: 531.72386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C=CC(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1/C=C/C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C31H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-38-28-21-18-17-20-27(28)22-23-29(33)32(25-30(34)35)26-31(36)37/h17-18,20-23H,2-16,19,24-26H2,1H3,(H,34,35)(H,36,37)/b23-22+