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

Systemtic Name: 2-pentoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-pentoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[oxo(pentoxy)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-pentoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-amoxycarbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C45H52N2O8 MolecularWeight: 748.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C(C1C(=O)O)C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCCOC(=O)C1C(C(C1C(=O)O)C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C45H52N2O8/c1-4-7-14-29-53-45(52)41-39(43(49)47(28-6-3)31-33-21-25-37(26-22-33)55-35-17-12-9-13-18-35)38(40(41)44(50)51)42(48)46(27-5-2)30-32-19-23-36(24-20-32)54-34-15-10-8-11-16-34/h8-13,15-26,38-41H,4-7,14,27-31H2,1-3H3,(H,50,51)