methyl 3-[[2-azanyl-5-[4-(3,5-dimethylpiperazin-1-yl)carbonylphenyl]pyridin-3-yl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[2-azanyl-5-[4-(3,5-dimethylpiperazin-1-yl)carbonylphenyl]pyridin-3-yl]oxymethyl]benzoate Openeye Name: methyl 3-[[2-amino-5-[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]-3-pyridyl]oxymethyl]benzoate CAS Name: 3-[[2-amino-5-[4-[(3,5-dimethyl-1-piperazinyl)-oxomethyl]phenyl]-3-pyridinyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-amino-5-[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]pyridin-3-yl]oxymethyl]benzoate Traditional Name: 3-[[2-amino-5-[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]-3-pyridyl]oxymethyl]benzoic acid methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)OCC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)OCC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C27H30N4O4/c1-17-14-31(15-18(2)30-17)26(32)21-9-7-20(8-10-21)23-12-24(25(28)29-13-23)35-16-19-5-4-6-22(11-19)27(33)34-3/h4-13,17-18,30H,14-16H2,1-3H3,(H2,28,29)