1-[2-[4-(carboxymethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid

Systemtic Name: 1-[2-[4-(carboxymethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Openeye Name: 1-[2-[4-(carboxymethyl)piperazin-1-yl]-2-oxo-ethyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid CAS Name: 1-[2-[4-(carboxymethyl)-1-piperazinyl]-2-oxoethyl]-3-cyclohexyl-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 1-[2-[4-(carboxymethyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 1-[2-[4-(carboxymethyl)piperazino]-2-keto-ethyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCN(CC4)CC(=O)O)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCN(CC4)CC(=O)O)C5=COC=C5

InChI

InChI=1S/C27H31N3O6/c31-23(29-11-9-28(10-12-29)16-24(32)33)15-30-22-14-19(27(34)35)6-7-21(22)25(18-4-2-1-3-5-18)26(30)20-8-13-36-17-20/h6-8,13-14,17-18H,1-5,9-12,15-16H2,(H,32,33)(H,34,35)