N-cyclohexylcyclohexanamine; (1S,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (1S,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (1S,3S)-2-benzyloxycarbonyl-1-vinyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (1S,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: N-cyclohexylcyclohexanamine; (1S,3S)-1-ethenyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (1S,3S)-2-carbobenzoxy-1-vinyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; dicyclohexylamine Formula: C32H42N2O4 MolecularWeight: 518.68688

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=CC=CC=C2CC(N1C(=O)OCC3=CC=CC=C3)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

C=C[C@H]1C2=CC=CC=C2C[C@H](N1C(=O)OCC3=CC=CC=C3)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C20H19NO4.C12H23N/c1-2-17-16-11-7-6-10-15(16)12-18(19(22)23)21(17)20(24)25-13-14-8-4-3-5-9-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-11,17-18H,1,12-13H2,(H,22,23);11-13H,1-10H2/t17-,18-;/m0./s1