N-cyclohexylcyclohexanamine; 5-methoxy-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 5-methoxy-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-5-methoxy-indoline-2-carboxylic acid; N-cyclohexylcyclohexanamine CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid; N-cyclohexylcyclohexanamine IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-5-methoxy-2,3-dihydroindole-2-carboxylic acid; N-cyclohexylcyclohexanamine Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-5-methoxy-indoline-2-carboxylic acid; dicyclohexylamine Formula: C33H44N2O5S MolecularWeight: 580.77786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=C2C=CC(=C3)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=C2C=CC(=C3)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C21H21NO5S.C12H23N/c1-13(12-28-21(26)14-6-4-3-5-7-14)19(23)22-17-9-8-16(27-2)10-15(17)11-18(22)20(24)25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-10,13,18H,11-12H2,1-2H3,(H,24,25);11-13H,1-10H2