ethyl (Z)-3-[2-chloranyl-1-(phenylmethyl)indol-3-yl]-2-(methylcarbamoyl)prop-2-enoate

Systemtic Name: ethyl (Z)-3-[2-chloranyl-1-(phenylmethyl)indol-3-yl]-2-(methylcarbamoyl)prop-2-enoate Openeye Name: ethyl (Z)-3-(1-benzyl-2-chloro-indol-3-yl)-2-(methylcarbamoyl)prop-2-enoate CAS Name: (Z)-3-[2-chloro-1-(phenylmethyl)-3-indolyl]-2-(methylcarbamoyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(1-benzyl-2-chloroindol-3-yl)-2-(methylcarbamoyl)prop-2-enoate Traditional Name: (Z)-3-(1-benzyl-2-chloro-indol-3-yl)-2-(methylcarbamoyl)acrylic acid ethyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)Cl)C(=O)NC

Isomeric SMILES

CCOC(=O)/C(=C\C1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)Cl)/C(=O)NC

InChI

InChI=1S/C22H21ClN2O3/c1-3-28-22(27)18(21(26)24-2)13-17-16-11-7-8-12-19(16)25(20(17)23)14-15-9-5-4-6-10-15/h4-13H,3,14H2,1-2H3,(H,24,26)/b18-13-