methyl 4-[2-[4-(2-azanyl-3-cyano-4H-benzo[h]chromen-4-yl)-2-ethoxy-phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(2-azanyl-3-cyano-4H-benzo[h]chromen-4-yl)-2-ethoxy-phenoxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2-amino-3-cyano-4H-benzo[h]chromen-4-yl)-2-ethoxy-phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-amino-3-cyano-4H-benzo[h][1]benzopyran-4-yl)-2-ethoxyphenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-amino-3-cyano-4H-benzo[h]chromen-4-yl)-2-ethoxyphenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-amino-3-cyano-4H-benzo[h]chromen-4-yl)-2-ethoxy-phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C32H27N3O6 MolecularWeight: 549.57328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)OCC(=O)NC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)OCC(=O)NC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C32H27N3O6/c1-3-39-27-16-21(11-15-26(27)40-18-28(36)35-22-12-8-20(9-13-22)32(37)38-2)29-24-14-10-19-6-4-5-7-23(19)30(24)41-31(34)25(29)17-33/h4-16,29H,3,18,34H2,1-2H3,(H,35,36)