[2-[[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]methyl-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]carbamoyl]phenyl]methyl benzoate

Systemtic Name: [2-[[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]methyl-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]carbamoyl]phenyl]methyl benzoate Openeye Name: [2-[[4-(guanidinomethyl)cyclohexyl]methyl-[(1,1,4,4,7-pentamethyltetralin-6-yl)methyl]carbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]carbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[[4-(guanidinomethyl)cyclohexyl]methyl-[(1,1,4,4,7-pentamethyltetralin-6-yl)methyl]carbamoyl]benzyl] ester Formula: C40H52N4O3 MolecularWeight: 636.86588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)CN(CC3CCC(CC3)CN=C(N)N)C(=O)C4=CC=CC=C4COC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)CN(CC3CCC(CC3)CN=C(N)N)C(=O)C4=CC=CC=C4COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H52N4O3/c1-27-21-34-35(40(4,5)20-19-39(34,2)3)22-32(27)25-44(24-29-17-15-28(16-18-29)23-43-38(41)42)36(45)33-14-10-9-13-31(33)26-47-37(46)30-11-7-6-8-12-30/h6-14,21-22,28-29H,15-20,23-26H2,1-5H3,(H4,41,42,43)