ethyl 7-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 7-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-benzyl-7-[(4-carbamimidoylbenzoyl)amino]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxylate CAS Name: 7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-methyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-7-[(4-carbamimidoylbenzoyl)amino]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxylate Traditional Name: 7-[(4-amidinobenzoyl)amino]-4-benzyl-3-keto-2-methyl-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O5/c1-3-35-26(34)27(2)25(33)31(16-17-7-5-4-6-8-17)21-14-13-20(15-22(21)36-27)30-24(32)19-11-9-18(10-12-19)23(28)29/h4-15H,3,16H2,1-2H3,(H3,28,29)(H,30,32)