benzoic acid; 4-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]cyclohex-3-en-1-amine

Systemtic Name: benzoic acid; 4-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]cyclohex-3-en-1-amine Openeye Name: benzoic acid; 4-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]cyclohex-3-en-1-amine CAS Name: benzoic acid; 4-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-1-cyclohex-3-enamine IUPAC Name: benzoic acid; 4-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]cyclohex-3-en-1-amine Traditional Name: 2-[5-(4-aminocyclohexen-1-yl)-1H-indol-3-yl]ethyl-dimethyl-amine; benzoic acid Formula: C32H37N3O4 MolecularWeight: 527.65388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)C3=CCC(CC3)N.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)C3=CCC(CC3)N.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H25N3.2C7H6O2/c1-21(2)10-9-15-12-20-18-8-5-14(11-17(15)18)13-3-6-16(19)7-4-13;2*8-7(9)6-4-2-1-3-5-6/h3,5,8,11-12,16,20H,4,6-7,9-10,19H2,1-2H3;2*1-5H,(H,8,9)