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methyl 4-[[2-[[4-(1-adamantyl)phenyl]-methyl-amino]phenyl]carbamoyl]benzoate

methyl 4-[[2-[[4-(1-adamantyl)phenyl]-methyl-amino]phenyl]carbamoyl]benzoate

Systemtic Name:methyl 4-[[2-[[4-(1-adamantyl)phenyl]-methyl-amino]phenyl]carbamoyl]benzoate
Openeye Name:methyl 4-[[2-[4-(1-adamantyl)-N-methyl-anilino]phenyl]carbamoyl]benzoate
CAS Name:4-[[2-[4-(1-adamantyl)-N-methylanilino]anilino]-oxomethyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[[2-[4-(1-adamantyl)-N-methylanilino]phenyl]carbamoyl]benzoate
Traditional Name:4-[[2-[4-(1-adamantyl)-N-methyl-anilino]phenyl]carbamoyl]benzoic acid methyl ester
Formula: C32H34N2O3
MolecularWeight: 494.62396
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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5NC(=O)C6=CC=C(C=C6)C(=O)OC


Isomeric SMILES

CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5NC(=O)C6=CC=C(C=C6)C(=O)OC


InChI

InChI=1S/C32H34N2O3/c1-34(27-13-11-26(12-14-27)32-18-21-15-22(19-32)17-23(16-21)20-32)29-6-4-3-5-28(29)33-30(35)24-7-9-25(10-8-24)31(36)37-2/h3-14,21-23H,15-20H2,1-2H3,(H,33,35)


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