2-(2,3-dihydro-1H-inden-5-yloxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-yloxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-indan-5-yloxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[2,3-dihydro-1H-inden-5-yloxy(oxo)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-indan-5-yloxycarbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C49H50N2O8 MolecularWeight: 794.9299

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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)O)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)N(CCC)CC6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)N(CCC)CC6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C49H50N2O8/c1-3-28-50(31-33-18-23-39(24-19-33)57-37-14-7-5-8-15-37)46(52)42-43(45(44(42)48(54)55)49(56)59-41-27-22-35-12-11-13-36(35)30-41)47(53)51(29-4-2)32-34-20-25-40(26-21-34)58-38-16-9-6-10-17-38/h5-10,14-27,30,42-45H,3-4,11-13,28-29,31-32H2,1-2H3,(H,54,55)