butanedioic acid; N-[(3-methoxy-4-oxidanyl-phenyl)methyl]nonanamide

Systemtic Name: butanedioic acid; N-[(3-methoxy-4-oxidanyl-phenyl)methyl]nonanamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide; succinic acid CAS Name: butanedioic acid; N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide IUPAC Name: butanedioic acid; N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide Traditional Name: succinic acid; N-vanillylpelargonamide Formula: C21H33NO7 MolecularWeight: 411.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H27NO3.C4H6O4/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;5-3(6)1-2-4(7)8/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);1-2H2,(H,5,6)(H,7,8)