(E)-4-ethyl-9-methyl-5-methylidene-3-(pyridin-4-ylcarbamoyl)undec-8-enoic acid

Systemtic Name: (E)-4-ethyl-9-methyl-5-methylidene-3-(pyridin-4-ylcarbamoyl)undec-8-enoic acid Openeye Name: (E)-4-ethyl-9-methyl-5-methylene-3-(4-pyridylcarbamoyl)undec-8-enoic acid CAS Name: (E)-4-ethyl-9-methyl-5-methylene-3-[oxo-(pyridin-4-ylamino)methyl]-8-undecenoic acid IUPAC Name: (E)-4-ethyl-9-methyl-5-methylidene-3-(pyridin-4-ylcarbamoyl)undec-8-enoic acid Traditional Name: (E)-4-ethyl-9-methyl-5-methylene-3-(4-pyridylcarbamoyl)undec-8-enoic acid Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)C(=O)NC1=CC=NC=C1)C(=C)CCC=C(C)CC

Isomeric SMILES

CCC(C(CC(=O)O)C(=O)NC1=CC=NC=C1)C(=C)CC/C=C(\C)/CC

InChI

InChI=1S/C21H30N2O3/c1-5-15(3)8-7-9-16(4)18(6-2)19(14-20(24)25)21(26)23-17-10-12-22-13-11-17/h8,10-13,18-19H,4-7,9,14H2,1-3H3,(H,24,25)(H,22,23,26)/b15-8+