ethanedioic acid; 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(3-oxidanylpropylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(3-oxidanylpropylamino)propan-2-ol Openeye Name: 1-(3-hydroxypropylamino)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(3-hydroxypropylamino)-3-[2-(4-methoxyphenyl)-1-indolyl]-2-propanol; oxalic acid IUPAC Name: 1-(3-hydroxypropylamino)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(3-hydroxypropylamino)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(CNCCCO)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(CNCCCO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-26-19-9-7-16(8-10-19)21-13-17-5-2-3-6-20(17)23(21)15-18(25)14-22-11-4-12-24;3-1(4)2(5)6/h2-3,5-10,13,18,22,24-25H,4,11-12,14-15H2,1H3;(H,3,4)(H,5,6)