2-[[2-oxidanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-[[2-oxidanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-[(2-hydroxy-3,4-dioxo-cyclobuten-1-yl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(2-hydroxy-3,4-dioxo-1-cyclobutenyl)amino]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[(2-hydroxy-3,4-diketo-cyclobuten-1-yl)amino]-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C43H43N3O9 MolecularWeight: 745.81622

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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)NC4=C(C(=O)C4=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)NC4=C(C(=O)C4=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C43H43N3O9/c1-3-23-45(25-27-15-19-31(20-16-27)54-29-11-7-5-8-12-29)41(50)33-34(36(35(33)43(52)53)44-37-38(47)40(49)39(37)48)42(51)46(24-4-2)26-28-17-21-32(22-18-28)55-30-13-9-6-10-14-30/h5-22,33-36,44,47H,3-4,23-26H2,1-2H3,(H,52,53)