4-(azepan-1-yl)-1-phenyl-butan-1-one; (E)-but-2-enedioic acid

Systemtic Name: 4-(azepan-1-yl)-1-phenyl-butan-1-one; (E)-but-2-enedioic acid Openeye Name: 4-(azepan-1-yl)-1-phenyl-butan-1-one; fumaric acid CAS Name: 4-(1-azepanyl)-1-phenyl-1-butanone; (E)-2-butenedioic acid IUPAC Name: 4-(azepan-1-yl)-1-phenylbutan-1-one; (E)-but-2-enedioic acid Traditional Name: 4-(azepan-1-yl)-1-phenyl-butan-1-one; fumaric acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCC(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CCCC(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23NO.C4H4O4/c18-16(15-9-4-3-5-10-15)11-8-14-17-12-6-1-2-7-13-17;5-3(6)1-2-4(7)8/h3-5,9-10H,1-2,6-8,11-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+