6-[[(2S,3R)-4-(3,4-dichlorophenyl)-3-naphthalen-2-ylcarbonyloxy-butan-2-yl]carbamoyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid

Systemtic Name: 6-[[(2S,3R)-4-(3,4-dichlorophenyl)-3-naphthalen-2-ylcarbonyloxy-butan-2-yl]carbamoyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid Openeye Name: 6-[[(1S,2R)-3-(3,4-dichlorophenyl)-1-methyl-2-(naphthalene-2-carbonyloxy)propyl]carbamoyl]-1,3-dioxo-isobenzofuran-5-carboxylic acid CAS Name: 6-[[[(2S,3R)-4-(3,4-dichlorophenyl)-3-[2-naphthalenyl(oxo)methoxy]butan-2-yl]amino]-oxomethyl]-1,3-dioxo-5-isobenzofurancarboxylic acid IUPAC Name: 6-[[(2S,3R)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butan-2-yl]carbamoyl]-1,3-dioxo-2-benzofuran-5-carboxylic acid Traditional Name: 6-[[(1S,2R)-3-(3,4-dichlorophenyl)-1-methyl-2-(2-naphthoyloxy)propyl]carbamoyl]-1,3-diketo-phthalan-5-carboxylic acid Formula: C31H21Cl2NO8 MolecularWeight: 606.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC(=C(C=C1)Cl)Cl)OC(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C=C5C(=C4)C(=O)OC5=O)C(=O)O

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC(=C(C=C1)Cl)Cl)OC(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C=C5C(=C4)C(=O)OC5=O)C(=O)O

InChI

InChI=1S/C31H21Cl2NO8/c1-15(34-27(35)20-13-22-23(14-21(20)28(36)37)31(40)42-30(22)39)26(11-16-6-9-24(32)25(33)10-16)41-29(38)19-8-7-17-4-2-3-5-18(17)12-19/h2-10,12-15,26H,11H2,1H3,(H,34,35)(H,36,37)/t15-,26+/m0/s1