methyl 4-[3-[1-(2-dimethylaminoethyl)indol-5-yl]prop-2-ynylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-[1-(2-dimethylaminoethyl)indol-5-yl]prop-2-ynylcarbamoyl]benzoate Openeye Name: methyl 4-[3-[1-(2-dimethylaminoethyl)indol-5-yl]prop-2-ynylcarbamoyl]benzoate CAS Name: 4-[[3-[1-(2-dimethylaminoethyl)-5-indolyl]prop-2-ynylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[1-(2-dimethylaminoethyl)indol-5-yl]prop-2-ynylcarbamoyl]benzoate Traditional Name: 4-[3-[1-(2-dimethylaminoethyl)indol-5-yl]prop-2-ynylcarbamoyl]benzoic acid methyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C1C=CC(=C2)C#CCNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCN1C=CC2=C1C=CC(=C2)C#CCNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H25N3O3/c1-26(2)15-16-27-14-12-21-17-18(6-11-22(21)27)5-4-13-25-23(28)19-7-9-20(10-8-19)24(29)30-3/h6-12,14,17H,13,15-16H2,1-3H3,(H,25,28)