4-[1-azanyl-3-[2-(azepan-2-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-[2-(azepan-2-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[2-[2-(azepan-2-yl)phenyl]-1-carbamoyl-propyl]benzoic acid CAS Name: 4-[1-amino-3-[2-(2-azepanyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(azepan-2-yl)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[2-[2-(azepan-2-yl)phenyl]-1-carbamoyl-propyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C2CCCCCN2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1C2CCCCCN2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H28N2O3/c1-15(21(22(24)26)16-10-12-17(13-11-16)23(27)28)18-7-4-5-8-19(18)20-9-3-2-6-14-25-20/h4-5,7-8,10-13,15,20-21,25H,2-3,6,9,14H2,1H3,(H2,24,26)(H,27,28)