2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-oxidanylidene-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-oxidanylidene-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-3-cyclohexyl-1-[2-oxo-2-(4-pyrrolidin-1-yl-1-piperidyl)ethyl]indole-6-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-oxo-2-[4-(1-pyrrolidinyl)-1-piperidinyl]ethyl]-6-indolecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-3-cyclohexyl-1-[2-keto-2-(4-pyrrolidinopiperidino)ethyl]indole-6-carboxylic acid Formula: C34H39N3O3S MolecularWeight: 569.75676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCC(CC4)N5CCCC5)C6=CC7=CC=CC=C7S6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCC(CC4)N5CCCC5)C6=CC7=CC=CC=C7S6

InChI

InChI=1S/C34H39N3O3S/c38-31(36-18-14-26(15-19-36)35-16-6-7-17-35)22-37-28-20-25(34(39)40)12-13-27(28)32(23-8-2-1-3-9-23)33(37)30-21-24-10-4-5-11-29(24)41-30/h4-5,10-13,20-21,23,26H,1-3,6-9,14-19,22H2,(H,39,40)