2-[carboxymethyl-(3-decoxyphenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(3-decoxyphenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(3-decoxybenzoyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[(3-decoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-(3-decoxybenzoyl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(3-decoxybenzoyl)amino]acetic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-9-13-28-18-12-10-11-17(14-18)21(27)22(15-19(23)24)16-20(25)26/h10-12,14H,2-9,13,15-16H2,1H3,(H,23,24)(H,25,26)