ethanedioic acid; ethyl 1,2-dimethyl-5-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]indole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1,2-dimethyl-5-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[3-(benzylamino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate; oxalic acid CAS Name: 5-[2-hydroxy-3-[(phenylmethyl)amino]propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-[3-(benzylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate; oxalic acid Traditional Name: 5-[3-(benzylamino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester; oxalic acid Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3=CC=CC=C3)O)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3=CC=CC=C3)O)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O4.C2H2O4/c1-4-28-23(27)22-16(2)25(3)21-11-10-19(12-20(21)22)29-15-18(26)14-24-13-17-8-6-5-7-9-17;3-1(4)2(5)6/h5-12,18,24,26H,4,13-15H2,1-3H3;(H,3,4)(H,5,6)