ethanedioic acid; 1-indol-1-yl-3-[(phenylmethyl)amino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-indol-1-yl-3-[(phenylmethyl)amino]propan-2-ol Openeye Name: 1-(benzylamino)-3-indol-1-yl-propan-2-ol; oxalic acid CAS Name: 1-(1-indolyl)-3-[(phenylmethyl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(benzylamino)-3-indol-1-ylpropan-2-ol; oxalic acid Traditional Name: 1-(benzylamino)-3-indol-1-yl-propan-2-ol; oxalic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CN2C=CC3=CC=CC=C32)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CN2C=CC3=CC=CC=C32)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2O.C2H2O4/c21-17(13-19-12-15-6-2-1-3-7-15)14-20-11-10-16-8-4-5-9-18(16)20;3-1(4)2(5)6/h1-11,17,19,21H,12-14H2;(H,3,4)(H,5,6)