[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-4-methoxy-5-phenylmethoxy-phenyl]carbamic acid

Systemtic Name: [2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-4-methoxy-5-phenylmethoxy-phenyl]carbamic acid Openeye Name: [2-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxo-ethyl]-5-benzyloxy-4-methoxy-phenyl]carbamic acid CAS Name: [2-[1-(4-carbamimidoylanilino)-2-oxo-2-[(phenylmethyl)amino]ethyl]-4-methoxy-5-phenylmethoxyphenyl]carbamic acid IUPAC Name: [2-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxoethyl]-4-methoxy-5-phenylmethoxyphenyl]carbamic acid Traditional Name: [2-[1-(4-amidinoanilino)-2-(benzylamino)-2-keto-ethyl]-5-benzoxy-4-methoxy-phenyl]carbamic acid Formula: C31H31N5O5 MolecularWeight: 553.60834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31N5O5/c1-40-26-16-24(25(36-31(38)39)17-27(26)41-19-21-10-6-3-7-11-21)28(30(37)34-18-20-8-4-2-5-9-20)35-23-14-12-22(13-15-23)29(32)33/h2-17,28,35-36H,18-19H2,1H3,(H3,32,33)(H,34,37)(H,38,39)