[3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-(2-bromanyl-4-methyl-phenoxy)-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate

Systemtic Name: [3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-(2-bromanyl-4-methyl-phenoxy)-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate Openeye Name: [3-[(3-amino-3-oxo-propyl)carbamoyl]-5-(2-bromo-4-methyl-phenoxy)-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [3-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-6-[anilino(oxo)methoxy]-5-(2-bromo-4-methylphenoxy)-1-cyclohex-3-enyl] ester IUPAC Name: [3-[(3-amino-3-oxopropyl)carbamoyl]-5-(2-bromo-4-methylphenoxy)-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [3-[(3-amino-3-keto-propyl)carbamoyl]-5-(2-bromo-4-methyl-phenoxy)-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] ester Formula: C31H31BrN4O7 MolecularWeight: 651.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2C=C(CC(C2OC(=O)NC3=CC=CC=C3)OC(=O)NC4=CC=CC=C4)C(=O)NCCC(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2C=C(CC(C2OC(=O)NC3=CC=CC=C3)OC(=O)NC4=CC=CC=C4)C(=O)NCCC(=O)N)Br

InChI

InChI=1S/C31H31BrN4O7/c1-19-12-13-24(23(32)16-19)41-25-17-20(29(38)34-15-14-27(33)37)18-26(42-30(39)35-21-8-4-2-5-9-21)28(25)43-31(40)36-22-10-6-3-7-11-22/h2-13,16-17,25-26,28H,14-15,18H2,1H3,(H2,33,37)(H,34,38)(H,35,39)(H,36,40)