[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[1-(4-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C30H25NO6 MolecularWeight: 495.5226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C30H25NO6/c1-18-16-24(19(2)31(18)21-14-12-20(13-15-21)29(33)35-3)25(32)17-36-30(34)28-22-8-4-6-10-26(22)37-27-11-7-5-9-23(27)28/h4-16,28H,17H2,1-3H3