methyl 3-(butylcarbamoylamino)-2-[[4-(2-cyanophenyl)phenyl]methylamino]benzoate

Systemtic Name: methyl 3-(butylcarbamoylamino)-2-[[4-(2-cyanophenyl)phenyl]methylamino]benzoate Openeye Name: methyl 3-(butylcarbamoylamino)-2-[[4-(2-cyanophenyl)phenyl]methylamino]benzoate CAS Name: 3-[[butylamino(oxo)methyl]amino]-2-[[4-(2-cyanophenyl)phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-(butylcarbamoylamino)-2-[[4-(2-cyanophenyl)phenyl]methylamino]benzoate Traditional Name: 3-(butylcarbamoylamino)-2-[[4-(2-cyanophenyl)benzyl]amino]benzoic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=CC(=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CCCCNC(=O)NC1=CC=CC(=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C27H28N4O3/c1-3-4-16-29-27(33)31-24-11-7-10-23(26(32)34-2)25(24)30-18-19-12-14-20(15-13-19)22-9-6-5-8-21(22)17-28/h5-15,30H,3-4,16,18H2,1-2H3,(H2,29,31,33)