2-benzamido-3-[(4-butylphenyl)amino]-2-methyl-propanoic acid

Systemtic Name: 2-benzamido-3-[(4-butylphenyl)amino]-2-methyl-propanoic acid Openeye Name: 2-benzamido-3-(4-butylanilino)-2-methyl-propanoic acid CAS Name: 2-benzamido-3-(4-butylanilino)-2-methylpropanoic acid IUPAC Name: 2-benzamido-3-(4-butylanilino)-2-methylpropanoic acid Traditional Name: 2-benzamido-3-(4-butylanilino)-2-methyl-propionic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC(C)(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NCC(C)(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-3-4-8-16-11-13-18(14-12-16)22-15-21(2,20(25)26)23-19(24)17-9-6-5-7-10-17/h5-7,9-14,22H,3-4,8,15H2,1-2H3,(H,23,24)(H,25,26)