(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C29H25N3O4/c1-18(2)23-16-24-21(15-26(33)36-25(24)14-19(23)3)17-35-29(34)27-30-28(20-10-6-4-7-11-20)32(31-27)22-12-8-5-9-13-22/h4-16,18H,17H2,1-3H3