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

Systemtic Name: 3-[[4-(3-azanylpropoxycarbonyl)phenyl]methyl-pentanoyl-amino]-4-(dimethylamino)benzoic acid Openeye Name: 3-[[4-(3-aminopropoxycarbonyl)phenyl]methyl-pentanoyl-amino]-4-(dimethylamino)benzoic acid CAS Name: 3-[[4-[3-aminopropoxy(oxo)methyl]phenyl]methyl-(1-oxopentyl)amino]-4-(dimethylamino)benzoic acid IUPAC Name: 3-[[4-(3-aminopropoxycarbonyl)phenyl]methyl-pentanoylamino]-4-(dimethylamino)benzoic acid Traditional Name: 3-[[4-(3-aminopropoxycarbonyl)benzyl]-valeryl-amino]-4-(dimethylamino)benzoic acid Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5/c1-4-5-7-23(29)28(22-16-20(24(30)31)12-13-21(22)27(2)3)17-18-8-10-19(11-9-18)25(32)33-15-6-14-26/h8-13,16H,4-7,14-15,17,26H2,1-3H3,(H,30,31)