ethyl 1,6-bis(oxidanylidene)-4a-phenyl-2-(phenylmethyl)-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylate

Systemtic Name: ethyl 1,6-bis(oxidanylidene)-4a-phenyl-2-(phenylmethyl)-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylate Openeye Name: ethyl 2-benzyl-1,6-dioxo-4a-phenyl-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylate CAS Name: 1,6-dioxo-4a-phenyl-2-(phenylmethyl)-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-1,6-dioxo-4a-phenyl-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylate Traditional Name: 2-benzyl-1,6-diketo-4a-phenyl-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid ethyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC(=O)CC1(CCN(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C12CCC(=O)CC1(CCN(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO4/c1-2-30-23(29)25-14-13-21(27)17-24(25,20-11-7-4-8-12-20)15-16-26(22(25)28)18-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3