methyl 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylate

Systemtic Name: methyl 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylate Openeye Name: methyl 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylate CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylate Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid methyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C2C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C2C=CC(=C3)C(=O)OC

InChI

InChI=1S/C27H33NO4/c1-3-4-5-6-7-8-9-21-10-13-25(14-11-21)32-20-24(29)19-28-17-16-22-18-23(27(30)31-2)12-15-26(22)28/h10-18H,3-9,19-20H2,1-2H3