tert-butyl 2-[6-chloranyl-3-[4-(2,6-dimethoxyphenyl)piperidin-1-yl]carbonyl-indol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-chloranyl-3-[4-(2,6-dimethoxyphenyl)piperidin-1-yl]carbonyl-indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[6-chloro-3-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]acetate CAS Name: 2-[6-chloro-3-[[4-(2,6-dimethoxyphenyl)-1-piperidinyl]-oxomethyl]-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-chloro-3-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]acetate Traditional Name: 2-[6-chloro-3-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]acetic acid tert-butyl ester Formula: C28H33ClN2O5 MolecularWeight: 513.02502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC(CC3)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC(CC3)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C28H33ClN2O5/c1-28(2,3)36-25(32)17-31-16-21(20-10-9-19(29)15-22(20)31)27(33)30-13-11-18(12-14-30)26-23(34-4)7-6-8-24(26)35-5/h6-10,15-16,18H,11-14,17H2,1-5H3