2-[2-carboxyethyl-[(E)-octadec-9-enyl]carbamoyl]benzoic acid

Systemtic Name: 2-[2-carboxyethyl-[(E)-octadec-9-enyl]carbamoyl]benzoic acid Openeye Name: 2-[2-carboxyethyl-[(E)-octadec-9-enyl]carbamoyl]benzoic acid CAS Name: 2-[[2-carboxyethyl-[(E)-octadec-9-enyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-carboxyethyl-[(E)-octadec-9-enyl]carbamoyl]benzoic acid Traditional Name: 2-[2-carboxyethyl-[(E)-octadec-9-enyl]carbamoyl]benzoic acid Formula: C29H45NO5 MolecularWeight: 487.6713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCC(=O)O)C(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CCC(=O)O)C(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C29H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-30(24-22-27(31)32)28(33)25-20-17-18-21-26(25)29(34)35/h9-10,17-18,20-21H,2-8,11-16,19,22-24H2,1H3,(H,31,32)(H,34,35)/b10-9+