(2S)-2-[6-chloranyl-2-(4-methylphenyl)chromen-4-ylidene]azaniumyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[6-chloranyl-2-(4-methylphenyl)chromen-4-ylidene]azaniumyl-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[6-chloro-2-(p-tolyl)chromen-4-ylidene]ammonio-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[6-chloro-2-(4-methylphenyl)-1-benzopyran-4-ylidene]ammonio]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[6-chloro-2-(4-methylphenyl)chromen-4-ylidene]azaniumyl-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[6-chloro-2-(p-tolyl)chromen-4-ylidene]ammonio-3-(1H-indol-3-yl)propionate Formula: C27H21ClN2O3 MolecularWeight: 456.92024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]C(CC3=CNC4=CC=CC=C43)C(=O)[O-])C5=C(O2)C=CC(=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+][C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])C5=C(O2)C=CC(=C5)Cl

InChI

InChI=1S/C27H21ClN2O3/c1-16-6-8-17(9-7-16)26-14-23(21-13-19(28)10-11-25(21)33-26)30-24(27(31)32)12-18-15-29-22-5-3-2-4-20(18)22/h2-11,13-15,24,29H,12H2,1H3,(H,31,32)/t24-/m0/s1