methyl 4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-4-ylmethylamino)phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-4-ylmethylamino)phenyl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[2-(1-naphthyl)-4-(4-pyridylmethylamino)benzoyl]amino]pentanoate CAS Name: 4-methyl-2-[[[2-(1-naphthalenyl)-4-(pyridin-4-ylmethylamino)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-4-ylmethylamino)benzoyl]amino]pentanoate Traditional Name: 4-methyl-2-[[2-(1-naphthyl)-4-(4-pyridylmethylamino)benzoyl]amino]valeric acid methyl ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC2=CC=NC=C2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC2=CC=NC=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H31N3O3/c1-20(2)17-28(30(35)36-3)33-29(34)26-12-11-23(32-19-21-13-15-31-16-14-21)18-27(26)25-10-6-8-22-7-4-5-9-24(22)25/h4-16,18,20,28,32H,17,19H2,1-3H3,(H,33,34)