4-(azepan-1-yl)-1-phenyl-butan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(azepan-1-yl)-1-phenyl-butan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4-(azepan-1-yl)-1-phenyl-butan-1-one; citric acid CAS Name: 4-(1-azepanyl)-1-phenyl-1-butanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(azepan-1-yl)-1-phenylbutan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-(azepan-1-yl)-1-phenyl-butan-1-one; citric acid Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO.C6H8O7/c18-16(15-9-4-3-5-10-15)11-8-14-17-12-6-1-2-7-13-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,9-10H,1-2,6-8,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)