(Z)-but-2-enedioic acid; 1-cycloheptyloxy-3-[(phenylmethyl)amino]propan-2-ol

Systemtic Name: (Z)-but-2-enedioic acid; 1-cycloheptyloxy-3-[(phenylmethyl)amino]propan-2-ol Openeye Name: 1-(benzylamino)-3-(cycloheptoxy)propan-2-ol; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-cycloheptyloxy-3-[(phenylmethyl)amino]-2-propanol IUPAC Name: 1-(benzylamino)-3-cycloheptyloxypropan-2-ol; (Z)-but-2-enedioic acid Traditional Name: 1-(benzylamino)-3-(cycloheptoxy)propan-2-ol; maleic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OCC(CNCC2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)OCC(CNCC2=CC=CC=C2)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H27NO2.C4H4O4/c19-16(13-18-12-15-8-4-3-5-9-15)14-20-17-10-6-1-2-7-11-17;5-3(6)1-2-4(7)8/h3-5,8-9,16-19H,1-2,6-7,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-