1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid

Systemtic Name: 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid Openeye Name: 1-[2-(tert-butylamino)-2-oxo-ethyl]-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-2-(1H-pyrrol-2-yl)-6-indolecarboxylic acid IUPAC Name: 1-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]-3-cyclohexyl-2-(1H-pyrrol-2-yl)indole-6-carboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=CN3)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=CN3)C4CCCCC4

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)27-21(29)15-28-20-14-17(24(30)31)11-12-18(20)22(16-8-5-4-6-9-16)23(28)19-10-7-13-26-19/h7,10-14,16,26H,4-6,8-9,15H2,1-3H3,(H,27,29)(H,30,31)