(E)-2-[2-(4H-azepin-5-ylamino)-2-oxidanylidene-ethyl]-3-ethyl-8-methyl-4-methylidene-dec-7-enoic acid

Systemtic Name: (E)-2-[2-(4H-azepin-5-ylamino)-2-oxidanylidene-ethyl]-3-ethyl-8-methyl-4-methylidene-dec-7-enoic acid Openeye Name: (E)-2-[2-(4H-azepin-5-ylamino)-2-oxo-ethyl]-3-ethyl-8-methyl-4-methylene-dec-7-enoic acid CAS Name: (E)-2-[2-(4H-azepin-5-ylamino)-2-oxoethyl]-3-ethyl-8-methyl-4-methylene-7-decenoic acid IUPAC Name: (E)-2-[2-(4H-azepin-5-ylamino)-2-oxoethyl]-3-ethyl-8-methyl-4-methylidenedec-7-enoic acid Traditional Name: (E)-2-[2-(4H-azepin-5-ylamino)-2-keto-ethyl]-3-ethyl-8-methyl-4-methylene-dec-7-enoic acid Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)NC1=CC=NC=CC1)C(=O)O)C(=C)CCC=C(C)CC

Isomeric SMILES

CCC(C(CC(=O)NC1=CC=NC=CC1)C(=O)O)C(=C)CC/C=C(\C)/CC

InChI

InChI=1S/C22H32N2O3/c1-5-16(3)9-7-10-17(4)19(6-2)20(22(26)27)15-21(25)24-18-11-8-13-23-14-12-18/h8-9,12-14,19-20H,4-7,10-11,15H2,1-3H3,(H,24,25)(H,26,27)/b16-9+