3-(1,3-benzodioxol-5-yl)-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-1-amine; ethanedioic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-1-amine; ethanedioic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-isopropoxyphenyl)methyl]-4-phenyl-butan-1-amine; oxalic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1-butanamine; oxalic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-1-amine; oxalic acid Traditional Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-(4-isopropoxybenzyl)amine; oxalic acid Formula: C29H33NO7 MolecularWeight: 507.57482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNCCC(CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNCCC(CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31NO3.C2H2O4/c1-20(2)31-25-11-8-22(9-12-25)18-28-15-14-24(16-21-6-4-3-5-7-21)23-10-13-26-27(17-23)30-19-29-26;3-1(4)2(5)6/h3-13,17,20,24,28H,14-16,18-19H2,1-2H3;(H,3,4)(H,5,6)