ethyl 4-[3-[3,5-bis(azanyl)phenyl]carbonylindol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-[3,5-bis(azanyl)phenyl]carbonylindol-1-yl]butanoate Openeye Name: ethyl 4-[3-(3,5-diaminobenzoyl)indol-1-yl]butanoate CAS Name: 4-[3-[(3,5-diaminophenyl)-oxomethyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-diaminobenzoyl)indol-1-yl]butanoate Traditional Name: 4-[3-(3,5-diaminobenzoyl)indol-1-yl]butyric acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)N)N

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)N)N

InChI

InChI=1S/C21H23N3O3/c1-2-27-20(25)8-5-9-24-13-18(17-6-3-4-7-19(17)24)21(26)14-10-15(22)12-16(23)11-14/h3-4,6-7,10-13H,2,5,8-9,22-23H2,1H3