(phenylmethyl) (NE)-N-[azanyl-[3-azanyl-4-methanoyl-2-(2-phenylazanylpropanoyl)phenyl]methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[azanyl-[3-azanyl-4-methanoyl-2-(2-phenylazanylpropanoyl)phenyl]methylidene]carbamate Openeye Name: benzyl (NE)-N-[amino-[3-amino-2-(2-anilinopropanoyl)-4-formyl-phenyl]methylene]carbamate CAS Name: (NE)-N-[amino-[3-amino-2-(2-anilino-1-oxopropyl)-4-formylphenyl]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino-[3-amino-2-(2-anilinopropanoyl)-4-formylphenyl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[3-amino-2-(2-anilinopropanoyl)-4-formyl-phenyl]methylene]carbamic acid benzyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1N)C=O)C(=NC(=O)OCC2=CC=CC=C2)N)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1N)C=O)/C(=N\C(=O)OCC2=CC=CC=C2)/N)NC3=CC=CC=C3

InChI

InChI=1S/C25H24N4O4/c1-16(28-19-10-6-3-7-11-19)23(31)21-20(13-12-18(14-30)22(21)26)24(27)29-25(32)33-15-17-8-4-2-5-9-17/h2-14,16,28H,15,26H2,1H3,(H2,27,29,32)