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

Systemtic Name: 3,4-bis[(2-cyclopropyl-1-phenyl-ethyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(2-cyclopropyl-1-phenyl-ethyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[(2-cyclopropyl-1-phenylethyl)-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(2-cyclopropyl-1-phenylethyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(2-cyclopropyl-1-phenyl-ethyl)-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C56H54N2O8 MolecularWeight: 883.03656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2=CC=CC=C2)N(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5C(C(C5C(=O)O)C(=O)O)C(=O)N(CC6=CC=C(C=C6)OC7=CC=CC=C7)C(CC8CC8)C9=CC=CC=C9

Isomeric SMILES

C1CC1CC(C2=CC=CC=C2)N(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5C(C(C5C(=O)O)C(=O)O)C(=O)N(CC6=CC=C(C=C6)OC7=CC=CC=C7)C(CC8CC8)C9=CC=CC=C9

InChI

InChI=1S/C56H54N2O8/c59-53(57(47(33-37-21-22-37)41-13-5-1-6-14-41)35-39-25-29-45(30-26-39)65-43-17-9-3-10-18-43)49-50(52(56(63)64)51(49)55(61)62)54(60)58(48(34-38-23-24-38)42-15-7-2-8-16-42)36-40-27-31-46(32-28-40)66-44-19-11-4-12-20-44/h1-20,25-32,37-38,47-52H,21-24,33-36H2,(H,61,62)(H,63,64)