methyl 2-[(3-cyanophenyl)methyl]-3-(1H-indol-5-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-(1H-indol-5-ylcarbonylamino)butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-(1H-indole-5-carbonylamino)butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[1H-indol-5-yl(oxo)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-(1H-indole-5-carbonylamino)butanoate Traditional Name: 2-(3-cyanobenzyl)-3-(1H-indole-5-carbonylamino)butyric acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C22H21N3O3/c1-14(25-21(26)18-6-7-20-17(12-18)8-9-24-20)19(22(27)28-2)11-15-4-3-5-16(10-15)13-23/h3-10,12,14,19,24H,11H2,1-2H3,(H,25,26)