[(E,1S)-7-[(2-aminophenyl)amino]-1-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanylidene-hept-5-enyl] N-phenylcarbamate

Systemtic Name: [(E,1S)-7-[(2-aminophenyl)amino]-1-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanylidene-hept-5-enyl] N-phenylcarbamate Openeye Name: [(E,1S)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxy-phenyl)-7-oxo-hept-5-enyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(E,1S)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-7-oxohept-5-enyl] ester IUPAC Name: [(E,1S)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-7-oxohept-5-enyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(E,1S)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxy-phenyl)-7-keto-hept-5-enyl] ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCC=CC(=O)NC2=CC=CC=C2N)OC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCC/C=C/C(=O)NC2=CC=CC=C2N)OC(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C27H29N3O5/c1-34-25-17-16-19(18-23(25)31)24(35-27(33)29-20-10-4-2-5-11-20)14-6-3-7-15-26(32)30-22-13-9-8-12-21(22)28/h2,4-5,7-13,15-18,24,31H,3,6,14,28H2,1H3,(H,29,33)(H,30,32)/b15-7+/t24-/m0/s1