[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C27H25NO6/c1-18-14-23(19(2)28(18)13-12-20-6-4-3-5-7-20)24(29)16-33-27(31)17-32-22-10-8-21-9-11-26(30)34-25(21)15-22/h3-11,14-15H,12-13,16-17H2,1-2H3