6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; (E)-4-oxidanylidene-4-(2-pyrrolidin-1-ylethoxy)but-2-enoic acid

Systemtic Name: 6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; (E)-4-oxidanylidene-4-(2-pyrrolidin-1-ylethoxy)but-2-enoic acid Openeye Name: 6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; (E)-4-oxo-4-(2-pyrrolidin-1-ylethoxy)but-2-enoic acid CAS Name: 6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; (E)-4-oxo-4-[2-(1-pyrrolidinyl)ethoxy]-2-butenoic acid IUPAC Name: 6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one; (E)-4-oxo-4-(2-pyrrolidin-1-ylethoxy)but-2-enoic acid Traditional Name: (E)-4-keto-4-(2-pyrrolidinoethoxy)but-2-enoic acid; 6-methyl-8,9-dihydro-7H-pyrid[3,2-c]azepin-5-one Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)C=CC=N2.C1CCN(C1)CCOC(=O)C=CC(=O)O

Isomeric SMILES

CN1CCCC2=C(C1=O)C=CC=N2.C1CCN(C1)CCOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H12N2O.C10H15NO4/c1-12-7-3-5-9-8(10(12)13)4-2-6-11-9;12-9(13)3-4-10(14)15-8-7-11-5-1-2-6-11/h2,4,6H,3,5,7H2,1H3;3-4H,1-2,5-8H2,(H,12,13)/b;4-3+