4-(7-azanylheptanoylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(7-azanylheptanoylamino)-3-methyl-benzoic acid Openeye Name: 4-(7-aminoheptanoylamino)-3-methyl-benzoic acid CAS Name: 4-[(7-amino-1-oxoheptyl)amino]-3-methylbenzoic acid IUPAC Name: 4-(7-aminoheptanoylamino)-3-methylbenzoic acid Traditional Name: 4-(7-aminoheptanoylamino)-3-methyl-benzoic acid Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCCCCN

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCCCCN

InChI

InChI=1S/C15H22N2O3/c1-11-10-12(15(19)20)7-8-13(11)17-14(18)6-4-2-3-5-9-16/h7-8,10H,2-6,9,16H2,1H3,(H,17,18)(H,19,20)