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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)OC1=CC=CC=C1C=CC(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)OC1=CC=CC=C1/C=C/C(=O)N(CC(=O)O)CC(=O)O

InChI

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