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

Systemtic Name: tert-butyl 2-[6-chloranyl-3-[4-(2-methoxyphenyl)piperidin-1-yl]carbonyl-indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]indol-1-yl]acetate CAS Name: 2-[6-chloro-3-[[4-(2-methoxyphenyl)-1-piperidinyl]-oxomethyl]-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]indol-1-yl]acetate Traditional Name: 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]indol-1-yl]acetic acid tert-butyl ester Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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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=CC=CC=C4OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O4/c1-27(2,3)34-25(31)17-30-16-22(21-10-9-19(28)15-23(21)30)26(32)29-13-11-18(12-14-29)20-7-5-6-8-24(20)33-4/h5-10,15-16,18H,11-14,17H2,1-4H3