2-[5-(dimethylcarbamoylamino)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylcarbamic acid

Systemtic Name: 2-[5-(dimethylcarbamoylamino)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylcarbamic acid Openeye Name: 2-[5-(dimethylcarbamoylamino)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylcarbamic acid CAS Name: 2-[5-[[dimethylamino(oxo)methyl]amino]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylcarbamic acid IUPAC Name: 2-[5-(dimethylcarbamoylamino)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylcarbamic acid Traditional Name: 2-[5-(dimethylcarbamoylamino)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylcarbamic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)NC(=O)N(C)C)CCNC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)NC(=O)N(C)C)CCNC(=O)O)C

InChI

InChI=1S/C22H26N4O3/c1-13-9-14(2)11-15(10-13)20-17(7-8-23-22(28)29)18-12-16(5-6-19(18)25-20)24-21(27)26(3)4/h5-6,9-12,23,25H,7-8H2,1-4H3,(H,24,27)(H,28,29)