4-[1H-indol-6-ylcarbonyl-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[1H-indol-6-ylcarbonyl-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[1H-indole-6-carbonyl-[2-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[1H-indol-6-yl(oxo)methyl]-[2-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[1H-indole-6-carbonyl-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[1H-indole-6-carbonyl-[2-keto-2-[4-(1-methyl-4-piperidyl)piperazino]ethyl]amino]benzoic acid Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)CN(C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC5=C(C=C4)C=CN5

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)CN(C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C28H33N5O4/c1-30-12-9-23(10-13-30)31-14-16-32(17-15-31)26(34)19-33(24-6-4-21(5-7-24)28(36)37)27(35)22-3-2-20-8-11-29-25(20)18-22/h2-8,11,18,23,29H,9-10,12-17,19H2,1H3,(H,36,37)