2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid; pentan-1-amine

Systemtic Name: 2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid; pentan-1-amine Openeye Name: 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid; pentan-1-amine CAS Name: 2-[(2-hydroxy-4-propylphenyl)-oxomethyl]benzoic acid; 1-pentanamine IUPAC Name: 2-(2-hydroxy-4-propylbenzoyl)benzoic acid; pentan-1-amine Traditional Name: amylamine; 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN.CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCCCCN.CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C17H16O4.C5H13N/c1-2-5-11-8-9-14(15(18)10-11)16(19)12-6-3-4-7-13(12)17(20)21;1-2-3-4-5-6/h3-4,6-10,18H,2,5H2,1H3,(H,20,21);2-6H2,1H3