[6-(2-cyclopentylethanoylamino)-3-oxidanylidene-2-propyl-indazol-1-yl]methyl 3-methoxybenzoate

Systemtic Name: [6-(2-cyclopentylethanoylamino)-3-oxidanylidene-2-propyl-indazol-1-yl]methyl 3-methoxybenzoate Openeye Name: [6-[(2-cyclopentylacetyl)amino]-3-oxo-2-propyl-indazol-1-yl]methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [6-[(2-cyclopentyl-1-oxoethyl)amino]-3-oxo-2-propyl-1-indazolyl]methyl ester IUPAC Name: [6-[(2-cyclopentylacetyl)amino]-3-oxo-2-propylindazol-1-yl]methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [6-[(2-cyclopentylacetyl)amino]-3-keto-2-propyl-indazolin-1-yl]methyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N1COC(=O)C3=CC(=CC=C3)OC)C=C(C=C2)NC(=O)CC4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=C(N1COC(=O)C3=CC(=CC=C3)OC)C=C(C=C2)NC(=O)CC4CCCC4

InChI

InChI=1S/C26H31N3O5/c1-3-13-28-25(31)22-12-11-20(27-24(30)14-18-7-4-5-8-18)16-23(22)29(28)17-34-26(32)19-9-6-10-21(15-19)33-2/h6,9-12,15-16,18H,3-5,7-8,13-14,17H2,1-2H3,(H,27,30)