(1R,6S)-3,4-dimethyl-6-[(9H-xanthen-9-ylcarbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[(9H-xanthen-9-ylcarbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-3,4-dimethyl-6-[(9H-xanthene-9-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[[oxo(9H-xanthen-9-yl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-[(9H-xanthene-9-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-3,4-dimethyl-6-[(9H-xanthene-9-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C24H23N2O5- MolecularWeight: 419.44982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)[O-])C

InChI

InChI=1S/C24H24N2O5/c1-13-11-17(18(24(29)30)12-14(13)2)22(27)25-26-23(28)21-15-7-3-5-9-19(15)31-20-10-6-4-8-16(20)21/h3-10,17-18,21H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/p-1/t17-,18+/m0/s1