1-[2-[4-[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]carbonyl-6-oxidanyl-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[4-[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]carbonyl-6-oxidanyl-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[4-[6-hydroxy-3-[3-methoxy-4-(morpholinomethyl)benzoyl]benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[4-[6-hydroxy-3-[[3-methoxy-4-(4-morpholinylmethyl)phenyl]-oxomethyl]-1-benzothiophen-2-yl]phenoxy]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[4-[6-hydroxy-3-[3-methoxy-4-(morpholin-4-ylmethyl)benzoyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[4-[6-hydroxy-3-[3-methoxy-4-(morpholinomethyl)benzoyl]benzothiophen-2-yl]phenoxy]ethyl]proline Formula: C34H36N2O7S MolecularWeight: 616.72384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCN5CCCC5C(=O)O)CN6CCOCC6

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCN5CCCC5C(=O)O)CN6CCOCC6

InChI

InChI=1S/C34H36N2O7S/c1-41-29-19-23(4-5-24(29)21-35-13-16-42-17-14-35)32(38)31-27-11-8-25(37)20-30(27)44-33(31)22-6-9-26(10-7-22)43-18-15-36-12-2-3-28(36)34(39)40/h4-11,19-20,28,37H,2-3,12-18,21H2,1H3,(H,39,40)