tert-butyl 1-azanyl-4-[3-(2-dimethylaminoethyl)-1-(phenylcarbonyl)indol-5-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: tert-butyl 1-azanyl-4-[3-(2-dimethylaminoethyl)-1-(phenylcarbonyl)indol-5-yl]cyclohex-3-ene-1-carboxylate Openeye Name: tert-butyl 1-amino-4-[1-benzoyl-3-(2-dimethylaminoethyl)indol-5-yl]cyclohex-3-ene-1-carboxylate CAS Name: 1-amino-4-[1-benzoyl-3-(2-dimethylaminoethyl)-5-indolyl]-1-cyclohex-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-amino-4-[1-benzoyl-3-(2-dimethylaminoethyl)indol-5-yl]cyclohex-3-ene-1-carboxylate Traditional Name: 1-amino-4-[1-benzoyl-3-(2-dimethylaminoethyl)indol-5-yl]cyclohex-3-ene-1-carboxylic acid tert-butyl ester Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCC(=CC1)C2=CC3=C(C=C2)N(C=C3CCN(C)C)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCC(=CC1)C2=CC3=C(C=C2)N(C=C3CCN(C)C)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C30H37N3O3/c1-29(2,3)36-28(35)30(31)16-13-21(14-17-30)23-11-12-26-25(19-23)24(15-18-32(4)5)20-33(26)27(34)22-9-7-6-8-10-22/h6-13,19-20H,14-18,31H2,1-5H3