3-[(4-butoxy-3-methoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[(4-butoxy-3-methoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(4-butoxy-3-methoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(4-butoxy-3-methoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(4-butoxy-3-methoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(4-butoxy-3-methoxy-benzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C19H27NO6/c1-3-4-9-26-15-6-5-13(10-16(15)25-2)12-20-14-7-8-19(11-14,17(21)22)18(23)24/h5-6,10,14,20H,3-4,7-9,11-12H2,1-2H3,(H,21,22)(H,23,24)