4-hexyl-3-[(4-methoxycarbonylphenyl)methylamino]benzoic acid

Systemtic Name: 4-hexyl-3-[(4-methoxycarbonylphenyl)methylamino]benzoic acid Openeye Name: 4-hexyl-3-[(4-methoxycarbonylphenyl)methylamino]benzoic acid CAS Name: 4-hexyl-3-[(4-methoxycarbonylphenyl)methylamino]benzoic acid IUPAC Name: 4-hexyl-3-[(4-methoxycarbonylphenyl)methylamino]benzoic acid Traditional Name: 3-[(4-carbomethoxybenzyl)amino]-4-hexyl-benzoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H27NO4/c1-3-4-5-6-7-17-12-13-19(21(24)25)14-20(17)23-15-16-8-10-18(11-9-16)22(26)27-2/h8-14,23H,3-7,15H2,1-2H3,(H,24,25)