1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid; (E)-octadec-9-enoic acid

Systemtic Name: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid; (E)-octadec-9-enoic acid Openeye Name: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid; (E)-octadec-9-enoic acid CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid; (E)-9-octadecenoic acid IUPAC Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid; (E)-octadec-9-enoic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]proline; elaidic acid Formula: C38H62N2O7 MolecularWeight: 658.90808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H28N2O5.C18H34O2/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+