1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea

Systemtic Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea Openeye Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea CAS Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea IUPAC Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea Traditional Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NC2CCC3(CCN(C3C2)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)N[C@@H]2CC[C@]3(CCN([C@H]3C2)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H35N3O3/c1-18(19-8-6-5-7-9-19)27-25(30)28-21-12-13-26(14-15-29(2)24(26)17-21)20-10-11-22(31-3)23(16-20)32-4/h5-11,16,18,21,24H,12-15,17H2,1-4H3,(H2,27,28,30)/t18-,21+,24-,26-/m0/s1