2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(1,2,3,4-tetrazol-1-ylmethyl)cyclobutane-1-carboxylic acid

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(1,2,3,4-tetrazol-1-ylmethyl)cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(tetrazol-1-ylmethyl)cyclobutanecarboxylic acid CAS Name: 2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-(1-tetrazolylmethyl)-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(tetrazol-1-ylmethyl)cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(tetrazol-1-ylmethyl)cyclobutanecarboxylic acid Formula: C41H44N6O6 MolecularWeight: 716.82466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O)CN6C=NN=N6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O)CN6C=NN=N6

InChI

InChI=1S/C41H44N6O6/c1-3-23-45(25-29-15-19-33(20-16-29)52-31-11-7-5-8-12-31)39(48)36-35(27-47-28-42-43-44-47)37(41(50)51)38(36)40(49)46(24-4-2)26-30-17-21-34(22-18-30)53-32-13-9-6-10-14-32/h5-22,28,35-38H,3-4,23-27H2,1-2H3,(H,50,51)