methyl 4-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]ethyl]benzoate Openeye Name: methyl 4-[2-(benzylamino)-1-[benzyl(pyrazine-2-carbonyl)amino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-oxo-1-[[oxo(2-pyrazinyl)methyl]-(phenylmethyl)amino]-2-[(phenylmethyl)amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(benzylamino)-1-[benzyl(pyrazine-2-carbonyl)amino]-2-oxoethyl]benzoate Traditional Name: 4-[2-(benzylamino)-1-[benzyl(pyrazinoyl)amino]-2-keto-ethyl]benzoic acid methyl ester Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C29H26N4O4/c1-37-29(36)24-14-12-23(13-15-24)26(27(34)32-18-21-8-4-2-5-9-21)33(20-22-10-6-3-7-11-22)28(35)25-19-30-16-17-31-25/h2-17,19,26H,18,20H2,1H3,(H,32,34)