methyl 3,4-bis(azanyl)-4-[(5-chloranyl-1H-indol-2-yl)carbonyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 3,4-bis(azanyl)-4-[(5-chloranyl-1H-indol-2-yl)carbonyl]cyclohexane-1-carboxylate Openeye Name: methyl 3,4-diamino-4-(5-chloro-1H-indole-2-carbonyl)cyclohexanecarboxylate CAS Name: 3,4-diamino-4-[(5-chloro-1H-indol-2-yl)-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3,4-diamino-4-(5-chloro-1H-indole-2-carbonyl)cyclohexane-1-carboxylate Traditional Name: 3,4-diamino-4-(5-chloro-1H-indole-2-carbonyl)cyclohexanecarboxylic acid methyl ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(C1)N)(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)N

Isomeric SMILES

COC(=O)C1CCC(C(C1)N)(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)N

InChI

InChI=1S/C17H20ClN3O3/c1-24-16(23)9-4-5-17(20,14(19)8-9)15(22)13-7-10-6-11(18)2-3-12(10)21-13/h2-3,6-7,9,14,21H,4-5,8,19-20H2,1H3