4,7-diphenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate; N-methylmethanamine

Systemtic Name: 4,7-diphenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate; N-methylmethanamine Openeye Name: 2-benzyl-4,7-diphenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate; N-methylmethanamine CAS Name: 4,7-diphenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate; N-methylmethanamine IUPAC Name: 2-benzyl-4,7-diphenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate; N-methylmethanamine Traditional Name: 2-benzyl-4,7-diphenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate; dimethylamine Formula: C30H33N2O2- MolecularWeight: 453.59522

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CNC.C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO2.C2H7N/c30-27(31)28-20-29(18-21-10-4-1-5-11-21)19-26(28)24(22-12-6-2-7-13-22)16-17-25(28)23-14-8-3-9-15-23;1-3-2/h1-16,25-26H,17-20H2,(H,30,31);3H,1-2H3/p-1