methyl 4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[(4-isobutyrylpiperazino)methyl]naphthalene-2-carboxylic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

InChI

InChI=1S/C21H26N2O4/c1-14(2)20(25)23-10-8-22(9-11-23)13-18-16-7-5-4-6-15(16)12-17(19(18)24)21(26)27-3/h4-7,12,14,24H,8-11,13H2,1-3H3