tert-butyl 9-chloranyl-7-(ethylcarbamoyl)-5-(4-hydroxyphenyl)-8-oxidanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 9-chloranyl-7-(ethylcarbamoyl)-5-(4-hydroxyphenyl)-8-oxidanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 9-chloro-7-(ethylcarbamoyl)-8-hydroxy-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 9-chloro-7-(ethylcarbamoyl)-8-hydroxy-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-chloro-7-(ethylcarbamoyl)-8-hydroxy-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 9-chloro-7-(ethylcarbamoyl)-8-hydroxy-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C24H29ClN2O5 MolecularWeight: 460.95046

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(CCN(CC2C3=CC=C(C=C3)O)C(=O)OC(C)(C)C)C(=C1O)Cl

Isomeric SMILES

CCNC(=O)C1=CC2=C(CCN(CC2C3=CC=C(C=C3)O)C(=O)OC(C)(C)C)C(=C1O)Cl

InChI

InChI=1S/C24H29ClN2O5/c1-5-26-22(30)18-12-17-16(20(25)21(18)29)10-11-27(23(31)32-24(2,3)4)13-19(17)14-6-8-15(28)9-7-14/h6-9,12,19,28-29H,5,10-11,13H2,1-4H3,(H,26,30)