4-(dimethylamino)-3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl-pentanoyl-amino]benzoic acid

Systemtic Name: 4-(dimethylamino)-3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl-pentanoyl-amino]benzoic acid Openeye Name: 4-(dimethylamino)-3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl-pentanoyl-amino]benzoic acid CAS Name: 4-(dimethylamino)-3-[[4-[2-dimethylaminoethyloxy(oxo)methyl]phenyl]methyl-(1-oxopentyl)amino]benzoic acid IUPAC Name: 4-(dimethylamino)-3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl-pentanoylamino]benzoic acid Traditional Name: 4-(dimethylamino)-3-[[4-(2-dimethylaminoethyloxycarbonyl)benzyl]-valeryl-amino]benzoic acid Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OCCN(C)C)C2=C(C=CC(=C2)C(=O)O)N(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OCCN(C)C)C2=C(C=CC(=C2)C(=O)O)N(C)C

InChI

InChI=1S/C26H35N3O5/c1-6-7-8-24(30)29(23-17-21(25(31)32)13-14-22(23)28(4)5)18-19-9-11-20(12-10-19)26(33)34-16-15-27(2)3/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,31,32)