7,8-dimethoxy-5-phenoxy-3-propyl-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid

Systemtic Name: 7,8-dimethoxy-5-phenoxy-3-propyl-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid Openeye Name: 7,8-dimethoxy-5-phenoxy-3-propyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid CAS Name: 7,8-dimethoxy-5-phenoxy-3-propyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid IUPAC Name: 7,8-dimethoxy-5-phenoxy-3-propyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Traditional Name: 7,8-dimethoxy-5-phenoxy-3-propyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Formula: C23H29NO7 MolecularWeight: 431.47886

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=CC(=C(C=C2C(C1)OC3=CC=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1CCC2=CC(=C(C=C2C(C1)OC3=CC=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO3.C2H2O4/c1-4-11-22-12-10-16-13-19(23-2)20(24-3)14-18(16)21(15-22)25-17-8-6-5-7-9-17;3-1(4)2(5)6/h5-9,13-14,21H,4,10-12,15H2,1-3H3;(H,3,4)(H,5,6)