ethyl 6-azanyl-5-cyano-4-[3-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-[3-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[4-[2-(benzylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-[3-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[4-[2-(benzylamino)-2-keto-ethoxy]-3-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O6/c1-4-33-22-13-19(25-20(14-28)26(29)36-17(3)24(25)27(32)34-5-2)11-12-21(22)35-16-23(31)30-15-18-9-7-6-8-10-18/h6-13,25H,4-5,15-16,29H2,1-3H3,(H,30,31)