ethyl 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]amino]butanoate

Systemtic Name: ethyl 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]amino]butanoate Openeye Name: ethyl 4-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]amino]butanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]amino]butanoate Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]amino]butyric acid ethyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=CC2=C(C=C1)N(C(=C2CC(=O)N)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC1=CC2=C(C=C1)N(C(=C2CC(=O)N)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3/c1-3-30-24(29)10-7-13-26-19-11-12-22-21(14-19)20(15-23(25)28)17(2)27(22)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,26H,3,7,10,13,15-16H2,1-2H3,(H2,25,28)