3-cyclohexyl-2-[7-methyl-2-(4-methylthiophen-2-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-[7-methyl-2-(4-methylthiophen-2-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-[7-methyl-2-(4-methyl-2-thienyl)-6-quinolyl]-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-[7-methyl-2-(4-methyl-2-thiophenyl)-6-quinolinyl]-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-[7-methyl-2-(4-methylthiophen-2-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)-2-[7-methyl-2-(4-methyl-2-thienyl)-6-quinolyl]indole-6-carboxylic acid Formula: C36H37N3O4S MolecularWeight: 607.76168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=NC3=CC(=C(C=C3C=C2)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7)C

Isomeric SMILES

CC1=CSC(=C1)C2=NC3=CC(=C(C=C3C=C2)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7)C

InChI

InChI=1S/C36H37N3O4S/c1-22-16-32(44-21-22)29-11-9-25-18-28(23(2)17-30(25)37-29)35-34(24-6-4-3-5-7-24)27-10-8-26(36(41)42)19-31(27)39(35)20-33(40)38-12-14-43-15-13-38/h8-11,16-19,21,24H,3-7,12-15,20H2,1-2H3,(H,41,42)