methyl 4-[[6-(2-cyclopentylethanoylamino)-3-oxidanylidene-2-prop-2-enyl-indazol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[6-(2-cyclopentylethanoylamino)-3-oxidanylidene-2-prop-2-enyl-indazol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[2-allyl-6-[(2-cyclopentylacetyl)amino]-3-oxo-indazol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-3-oxo-2-prop-2-enyl-1-indazolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(2-cyclopentylacetyl)amino]-3-oxo-2-prop-2-enylindazol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[2-allyl-6-[(2-cyclopentylacetyl)amino]-3-keto-indazolin-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)C(=O)N2CC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)C(=O)N2CC=C

InChI

InChI=1S/C27H31N3O5/c1-4-13-29-26(32)22-12-11-21(28-25(31)14-18-7-5-6-8-18)16-23(22)30(29)17-20-10-9-19(27(33)35-3)15-24(20)34-2/h4,9-12,15-16,18H,1,5-8,13-14,17H2,2-3H3,(H,28,31)