1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-prop-2-enyl-urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-prop-2-enyl-urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(3aS,6R,7aS)-1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-allyl-urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-prop-2-enylurea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3aS,6R,7aS)-1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-prop-2-enylurea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[(3aS,6R,7aS)-1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-allyl-urea; 2,2,2-trifluoroacetic acid Formula: C29H36F3N3O5 MolecularWeight: 563.60845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CCC(CC2N(CC3)CC4=CC=CC=C4)NC(=O)NCC=C)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@]23CC[C@H](C[C@@H]2N(CC3)CC4=CC=CC=C4)NC(=O)NCC=C)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H35N3O3.C2HF3O2/c1-4-15-28-26(31)29-22-12-13-27(21-10-11-23(32-2)24(17-21)33-3)14-16-30(25(27)18-22)19-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h4-11,17,22,25H,1,12-16,18-19H2,2-3H3,(H2,28,29,31);(H,6,7)/t22-,25+,27+;/m1./s1