3,4-bis[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[cyclopropylmethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C42H42N2O8 MolecularWeight: 702.79148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CC5CC5)CC6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1CC1CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CC5CC5)CC6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C42H42N2O8/c45-39(43(23-27-11-12-27)25-29-15-19-33(20-16-29)51-31-7-3-1-4-8-31)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28-13-14-28)26-30-17-21-34(22-18-30)52-32-9-5-2-6-10-32/h1-10,15-22,27-28,35-38H,11-14,23-26H2,(H,47,48)(H,49,50)