ethyl 3-[2-[4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenyl]propan-2-ylcarbamoyl]pyridine-4-carboxylate

Systemtic Name: ethyl 3-[2-[4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenyl]propan-2-ylcarbamoyl]pyridine-4-carboxylate Openeye Name: ethyl 3-[[1-methyl-1-[4-[[2-(4-pyridylmethylamino)pyridine-3-carbonyl]amino]phenyl]ethyl]carbamoyl]pyridine-4-carboxylate CAS Name: 3-[oxo-[2-[4-[[oxo-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]methyl]amino]phenyl]propan-2-ylamino]methyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenyl]propan-2-ylcarbamoyl]pyridine-4-carboxylate Traditional Name: 3-[[1-methyl-1-[4-[[2-(4-pyridylmethylamino)nicotinoyl]amino]phenyl]ethyl]carbamoyl]isonicotinic acid ethyl ester Formula: C30H30N6O4 MolecularWeight: 538.597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NC=C1)C(=O)NC(C)(C)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=NC=C1)C(=O)NC(C)(C)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C30H30N6O4/c1-4-40-29(39)23-13-17-32-19-25(23)28(38)36-30(2,3)21-7-9-22(10-8-21)35-27(37)24-6-5-14-33-26(24)34-18-20-11-15-31-16-12-20/h5-17,19H,4,18H2,1-3H3,(H,33,34)(H,35,37)(H,36,38)