2-[3-(azepan-1-ylcarbonylamino)phenyl]carbonyl-2-indol-1-yl-butanoic acid

Systemtic Name: 2-[3-(azepan-1-ylcarbonylamino)phenyl]carbonyl-2-indol-1-yl-butanoic acid Openeye Name: 2-[3-(azepane-1-carbonylamino)benzoyl]-2-indol-1-yl-butanoic acid CAS Name: 2-[[3-[[1-azepanyl(oxo)methyl]amino]phenyl]-oxomethyl]-2-(1-indolyl)butanoic acid IUPAC Name: 2-[3-(azepane-1-carbonylamino)benzoyl]-2-indol-1-ylbutanoic acid Traditional Name: 2-[3-(azepane-1-carbonylamino)benzoyl]-2-indol-1-yl-butyric acid Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CC=C1)NC(=O)N2CCCCCC2)(C(=O)O)N3C=CC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)C1=CC(=CC=C1)NC(=O)N2CCCCCC2)(C(=O)O)N3C=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O4/c1-2-26(24(31)32,29-17-14-19-10-5-6-13-22(19)29)23(30)20-11-9-12-21(18-20)27-25(33)28-15-7-3-4-8-16-28/h5-6,9-14,17-18H,2-4,7-8,15-16H2,1H3,(H,27,33)(H,31,32)