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

Systemtic Name: hept-2-ynyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: hept-2-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-2-ynyl ester IUPAC Name: hept-2-ynyl 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 hept-2-ynyl ester Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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