propan-2-yl (1S,6R)-6-[2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: propan-2-yl (1S,6R)-6-[2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: isopropyl (1S,6R)-6-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[2-(7-chloro-2-methyl-1H-indol-3-yl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (1S,6R)-6-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid isopropyl ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C(=CC=C2)Cl)CCNC(=O)C3CC=CCC3C(=O)OC(C)C

Isomeric SMILES

CC1=C(C2=C(N1)C(=CC=C2)Cl)CCNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC(C)C

InChI

InChI=1S/C22H27ClN2O3/c1-13(2)28-22(27)18-8-5-4-7-17(18)21(26)24-12-11-15-14(3)25-20-16(15)9-6-10-19(20)23/h4-6,9-10,13,17-18,25H,7-8,11-12H2,1-3H3,(H,24,26)/t17-,18+/m1/s1