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

Systemtic Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-thiophen-3-yl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Openeye Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-(3-thienyl)butyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid CAS Name: 4-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-(3-thiophenyl)pentan-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2-dicarboxylic acid IUPAC Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-thiophen-3-ylpentan-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Traditional Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-(3-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=CSC=C1)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=CSC=C1)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(15-25(31)32)26(33)24-16-38-29(40-24,27(34)35)28(36)37)23(12-7-19-13-14-41-17-19)20-8-10-22(11-9-20)39-21-5-3-2-4-6-21/h2-6,8-11,13-14,17-18,23-24H,7,12,15-16H2,1H3,(H,31,32)(H,34,35)(H,36,37)