2-azanyl-3-[(E)-octadec-9-enoyl]benzoate

Systemtic Name: 2-azanyl-3-[(E)-octadec-9-enoyl]benzoate Openeye Name: 2-amino-3-[(E)-octadec-9-enoyl]benzoate CAS Name: 2-amino-3-[(E)-1-oxooctadec-9-enyl]benzoate IUPAC Name: 2-amino-3-[(E)-octadec-9-enoyl]benzoate Traditional Name: 2-amino-3-[(E)-octadec-9-enoyl]benzoate Formula: C25H38NO3- MolecularWeight: 400.57412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N

InChI

InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)21-18-17-19-22(24(21)26)25(28)29/h9-10,17-19H,2-8,11-16,20,26H2,1H3,(H,28,29)/p-1/b10-9+