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

Systemtic Name: 3-[(4-methoxycarbonylphenyl)methylamino]-4-(pentanoylamino)benzoic acid Openeye Name: 3-[(4-methoxycarbonylphenyl)methylamino]-4-(pentanoylamino)benzoic acid CAS Name: 3-[(4-methoxycarbonylphenyl)methylamino]-4-(1-oxopentylamino)benzoic acid IUPAC Name: 3-[(4-methoxycarbonylphenyl)methylamino]-4-(pentanoylamino)benzoic acid Traditional Name: 3-[(4-carbomethoxybenzyl)amino]-4-(valerylamino)benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-3-4-5-19(24)23-17-11-10-16(20(25)26)12-18(17)22-13-14-6-8-15(9-7-14)21(27)28-2/h6-12,22H,3-5,13H2,1-2H3,(H,23,24)(H,25,26)