1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]carbonyl-4-ethoxy-piperidine-2-carboxylic acid hydrochloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]carbonyl-4-ethoxy-piperidine-2-carboxylic acid hydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazoline-2-carbonyl]-4-ethoxy-piperidine-2-carboxylic acid hydrochloride CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-oxomethyl]-4-ethoxy-2-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazoline-2-carbonyl]-4-ethoxypiperidine-2-carboxylic acid hydrochloride Traditional Name: 1-[6-chloro-4-(piperonylamino)quinazoline-2-carbonyl]-4-ethoxy-pipecolinic acid hydrochloride Formula: C25H26Cl2N4O6 MolecularWeight: 549.40314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(C(C1)C(=O)O)C(=O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5.Cl

Isomeric SMILES

CCOC1CCN(C(C1)C(=O)O)C(=O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C25H25ClN4O6.ClH/c1-2-34-16-7-8-30(19(11-16)25(32)33)24(31)23-28-18-5-4-15(26)10-17(18)22(29-23)27-12-14-3-6-20-21(9-14)36-13-35-20;/h3-6,9-10,16,19H,2,7-8,11-13H2,1H3,(H,32,33)(H,27,28,29);1H