3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine

Systemtic Name: 3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine Openeye Name: 3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine CAS Name: 3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; 1-pentanamine IUPAC Name: 3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine Traditional Name: amylamine; 3-(4-carbomethoxybenzyl)benzoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN.COC(=O)C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCN.COC(=O)C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H14O4.C5H13N/c1-20-16(19)13-7-5-11(6-8-13)9-12-3-2-4-14(10-12)15(17)18;1-2-3-4-5-6/h2-8,10H,9H2,1H3,(H,17,18);2-6H2,1H3