2-[(4-carboxyphenyl)methylamino]-4-(pentanoylamino)benzoic acid

Systemtic Name: 2-[(4-carboxyphenyl)methylamino]-4-(pentanoylamino)benzoic acid Openeye Name: 2-[(4-carboxyphenyl)methylamino]-4-(pentanoylamino)benzoic acid CAS Name: 2-[(4-carboxyphenyl)methylamino]-4-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[(4-carboxyphenyl)methylamino]-4-(pentanoylamino)benzoic acid Traditional Name: 2-[(4-carboxybenzyl)amino]-4-(valerylamino)benzoic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-2-3-4-18(23)22-15-9-10-16(20(26)27)17(11-15)21-12-13-5-7-14(8-6-13)19(24)25/h5-11,21H,2-4,12H2,1H3,(H,22,23)(H,24,25)(H,26,27)