methyl 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2/c1-33-29(32)27-15-13-24(14-16-27)23-31-19-8-18-30(21-22-31)20-17-28(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-16,28H,8,17-23H2,1H3