methyl 3-[[4-[(4-carbamimidoylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: methyl 3-[[4-[(4-carbamimidoylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: methyl 2-benzyl-3-[[4-[(4-carbamimidoylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-oxo-propanoate CAS Name: 3-[[4-[(4-carbamimidoylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-oxo-2-(phenylmethyl)propanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-[[4-[(4-carbamimidoylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-oxopropanoate Traditional Name: 3-[[4-(4-amidinobenzyl)-3-keto-1,4-benzoxazin-7-yl]amino]-2-benzyl-3-keto-propionic acid methyl ester Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H26N4O5/c1-35-27(34)21(13-17-5-3-2-4-6-17)26(33)30-20-11-12-22-23(14-20)36-16-24(32)31(22)15-18-7-9-19(10-8-18)25(28)29/h2-12,14,21H,13,15-16H2,1H3,(H3,28,29)(H,30,33)