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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(C(C2)(C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC5=C(C=C4)C=CN5)C(=O)CN

Isomeric SMILES

CN1CCC(CC1)N2CCN(C(C2)(C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC5=C(C=C4)C=CN5)C(=O)CN

InChI

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