tert-butyl 3-[2-[2-chloranylethanoyl-(4-oxidanylidenecyclohexyl)amino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[2-chloranylethanoyl-(4-oxidanylidenecyclohexyl)amino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[(2-chloroacetyl)-(4-oxocyclohexyl)amino]ethyl]indole-1-carboxylate CAS Name: 3-[2-[(2-chloro-1-oxoethyl)-(4-oxocyclohexyl)amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(2-chloroacetyl)-(4-oxocyclohexyl)amino]ethyl]indole-1-carboxylate Traditional Name: 3-[2-[(2-chloroacetyl)-(4-ketocyclohexyl)amino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN(C3CCC(=O)CC3)C(=O)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN(C3CCC(=O)CC3)C(=O)CCl

InChI

InChI=1S/C23H29ClN2O4/c1-23(2,3)30-22(29)26-15-16(19-6-4-5-7-20(19)26)12-13-25(21(28)14-24)17-8-10-18(27)11-9-17/h4-7,15,17H,8-14H2,1-3H3