2-[5-[1-(4-azanylbutyl)-2-phenyl-indol-6-yl]carbonyl-2-phenyl-thiophen-3-yl]ethanoic acid

Systemtic Name: 2-[5-[1-(4-azanylbutyl)-2-phenyl-indol-6-yl]carbonyl-2-phenyl-thiophen-3-yl]ethanoic acid Openeye Name: 2-[5-[1-(4-aminobutyl)-2-phenyl-indole-6-carbonyl]-2-phenyl-3-thienyl]acetic acid CAS Name: 2-[5-[[1-(4-aminobutyl)-2-phenyl-6-indolyl]-oxomethyl]-2-phenyl-3-thiophenyl]acetic acid IUPAC Name: 2-[5-[1-(4-aminobutyl)-2-phenylindole-6-carbonyl]-2-phenylthiophen-3-yl]acetic acid Traditional Name: 2-[5-[1-(4-aminobutyl)-2-phenyl-indole-6-carbonyl]-2-phenyl-3-thienyl]acetic acid Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N2CCCCN)C=C(C=C3)C(=O)C4=CC(=C(S4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N2CCCCN)C=C(C=C3)C(=O)C4=CC(=C(S4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C31H28N2O3S/c32-15-7-8-16-33-26(21-9-3-1-4-10-21)17-23-13-14-24(18-27(23)33)30(36)28-19-25(20-29(34)35)31(37-28)22-11-5-2-6-12-22/h1-6,9-14,17-19H,7-8,15-16,20,32H2,(H,34,35)