hept-4-yn-2-yl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: hept-4-yn-2-yl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: 1-methylhex-3-ynyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid hept-4-yn-2-yl ester IUPAC Name: hept-4-yn-2-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 1-methylhex-3-ynyl ester Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(C)OC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC#CCC(C)OC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C26H26ClNO4/c1-5-6-7-8-17(2)32-25(29)16-22-18(3)28(24-14-13-21(31-4)15-23(22)24)26(30)19-9-11-20(27)12-10-19/h9-15,17H,5,8,16H2,1-4H3