4-[[2-[(4-butoxyphenyl)carbonylamino]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[(4-butoxyphenyl)carbonylamino]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(4-butoxybenzoyl)amino]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[[(4-butoxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(4-butoxybenzoyl)amino]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(4-butoxybenzoyl)amino]acetyl]amino]methyl]benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H24N2O5/c1-2-3-12-28-18-10-8-16(9-11-18)20(25)23-14-19(24)22-13-15-4-6-17(7-5-15)21(26)27/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)(H,26,27)