4-[3-[3-(azepan-1-ylcarbonylamino)phenyl]carbonylindol-1-yl]butanoic acid

Systemtic Name: 4-[3-[3-(azepan-1-ylcarbonylamino)phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[3-(azepane-1-carbonylamino)benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[3-[[1-azepanyl(oxo)methyl]amino]phenyl]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[3-(azepane-1-carbonylamino)benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3-(azepane-1-carbonylamino)benzoyl]indol-1-yl]butyric acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O

InChI

InChI=1S/C26H29N3O4/c30-24(31)13-8-16-29-18-22(21-11-3-4-12-23(21)29)25(32)19-9-7-10-20(17-19)27-26(33)28-14-5-1-2-6-15-28/h3-4,7,9-12,17-18H,1-2,5-6,8,13-16H2,(H,27,33)(H,30,31)