4-(dimethylamino)-3-[pentanoyl-[[4-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]methyl]amino]benzoic acid

Systemtic Name: 4-(dimethylamino)-3-[pentanoyl-[[4-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]methyl]amino]benzoic acid Openeye Name: 4-(dimethylamino)-3-[pentanoyl-[[4-(1-trityltetrazol-5-yl)phenyl]methyl]amino]benzoic acid CAS Name: 4-(dimethylamino)-3-[1-oxopentyl-[[4-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 4-(dimethylamino)-3-[pentanoyl-[[4-(1-trityltetrazol-5-yl)phenyl]methyl]amino]benzoic acid Traditional Name: 4-(dimethylamino)-3-[[4-(1-trityltetrazol-5-yl)benzyl]-valeryl-amino]benzoic acid Formula: C41H40N6O3 MolecularWeight: 664.7947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=NN=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=CC(=C6)C(=O)O)N(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=NN=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=CC(=C6)C(=O)O)N(C)C

InChI

InChI=1S/C41H40N6O3/c1-4-5-21-38(48)46(37-28-32(40(49)50)26-27-36(37)45(2)3)29-30-22-24-31(25-23-30)39-42-43-44-47(39)41(33-15-9-6-10-16-33,34-17-11-7-12-18-34)35-19-13-8-14-20-35/h6-20,22-28H,4-5,21,29H2,1-3H3,(H,49,50)