[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3CCCO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3CCCO3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O5/c1-18-19(2)30(21-9-4-3-5-10-21)26(24(18)15-28)29-25(31)17-35-27(32)20-8-6-11-22(14-20)34-16-23-12-7-13-33-23/h3-6,8-11,14,23H,7,12-13,16-17H2,1-2H3,(H,29,31)