4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-thiophen-2-yl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid

Systemtic Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-thiophen-2-yl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Openeye Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-(2-thienyl)butyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid CAS Name: 4-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-thiophen-2-ylpentan-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2-dicarboxylic acid IUPAC Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-thiophen-2-ylpentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Traditional Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-(2-thienyl)butyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Formula: C29H29NO10S MolecularWeight: 583.60626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CS1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)O)C(=O)C4COC(O4)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CS1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)O)C(=O)C4COC(O4)(C(=O)O)C(=O)O

InChI

InChI=1S/C29H29NO10S/c1-18(30(16-25(31)32)26(33)24-17-38-29(40-24,27(34)35)28(36)37)23(14-13-22-8-5-15-41-22)19-9-11-21(12-10-19)39-20-6-3-2-4-7-20/h2-12,15,18,23-24H,13-14,16-17H2,1H3,(H,31,32)(H,34,35)(H,36,37)