ethanoic acid; ethyl 6-methyl-4-[2-oxidanyl-3-(3-phenylpropylamino)propoxy]-1H-indole-2-carboxylate

Systemtic Name: ethanoic acid; ethyl 6-methyl-4-[2-oxidanyl-3-(3-phenylpropylamino)propoxy]-1H-indole-2-carboxylate Openeye Name: acetic acid; ethyl 4-[2-hydroxy-3-(3-phenylpropylamino)propoxy]-6-methyl-1H-indole-2-carboxylate CAS Name: acetic acid; 4-[2-hydroxy-3-(3-phenylpropylamino)propoxy]-6-methyl-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: acetic acid; ethyl 4-[2-hydroxy-3-(3-phenylpropylamino)propoxy]-6-methyl-1H-indole-2-carboxylate Traditional Name: acetic acid; 4-[2-hydroxy-3-(3-phenylpropylamino)propoxy]-6-methyl-1H-indole-2-carboxylic acid ethyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=C(C=C2OCC(CNCCCC3=CC=CC=C3)O)C.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=C(C=C2OCC(CNCCCC3=CC=CC=C3)O)C.CC(=O)O

InChI

InChI=1S/C24H30N2O4.C2H4O2/c1-3-29-24(28)22-14-20-21(26-22)12-17(2)13-23(20)30-16-19(27)15-25-11-7-10-18-8-5-4-6-9-18;1-2(3)4/h4-6,8-9,12-14,19,25-27H,3,7,10-11,15-16H2,1-2H3;1H3,(H,3,4)